Advanced Organic Chemistry: Infrared spectrum of butanone
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Interpreting the i nfrared absorption spectrum of butanone
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Infrared spectroscopy - spectra index
Spectra obtained from a liquid film of butanone. The right-hand part of the of the infrared spectrum of butanone, wavenumbers ~1500 to 400 cm -1 is considered the fingerprint region for the identification of butanone and most organic compounds. It is due to a unique set of complex overlapping vibrations of the atoms of the molecule of butanone. Butanone C 4 H 8 O, , , , Interpretation of the infrared spectrum of butanone The most prominent infrared absorption lines of butanone The strongest and most characteristic absorption band of butanone is at wavenumbers ~1700 to 1725 cm -1 for the stretching vibrations of the carbonyl group bond C=O. There are multiple C-H absorptions at wavenumbers ~1215 to 1435 cm -1 and ~3000 cm -1 , but non particularly characteristic of ketones.
The absence of other specific functional group bands will show that particular functional group is absent from the butanone molecular structure.
Key words & phrases: image and diagram of the infrared spectrum of butanone 2-butanone butan-2-one , complete infrared absorption spectrum of butanone, comparative spectra of butanone, prominent peaks/troughs for identifying functional groups in the infrared spectrum of butanone, important wavenumber values in cm-1 for peaks/troughs in the infrared spectrum of butanone, revision of infrared spectroscopy of butanone, fingerprint region analysis of butanone, how to identify butanone from its infrared spectrum, identifying organic compounds like butanone from their infrared spectrum, how to analyse the absorption bands in the infrared spectrum of butanone 2-butanone butan-2-one
The chemistry of ALDEHYDES and KETONES revision notes INDEX Infrared spectroscopy index ALL SPECTROSCOPY INDEXES All Advanced Organic Chemistry Notes Use My Google search site box Email doc b: [email protected]
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Conformational stability, barriers to internal rotation, ab initio calculations, and vibrational assignment of 2-butanone
1991, Canadian Journal of Chemistry
The Raman (3200–10 cm−1) and infrared spectra (3200–30 cm−1) have been recorded for 2-butanone (ethyl methyl ketone), CH3CH2C(O)CH3, for the gas and solid. Additionally, the Raman spectrum and qualitative depolarization ratios have been obtained for the liquid. Evidence for the existence of two conformations in the gas and liquid is observed, with the trans form (the two CH3 moieties oriented trans about the central C—C bond) much more abundant than the high-energy form, presently identified tentatively to be the gauche rotamer. The trans form is the only form remaining in the spectrum of the solid. A very weak infrared band at 65 cm−1 has been assigned to the asymmetric torsion of the trans conformer. Using this frequency, ΔH, and the dihedral angle of the gauche rotamer, a potential function is proposed for the conformational interchange. Spectral features observed at 195.5 and 181.0 cm−1 in the far infrared spectrum of the gas have been assigned to the [Formula: see text] and [Fo...
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- Molecular Formula C 4 H 8 O
- Average mass 72.106 Da
- Monoisotopic mass 72.057518 Da
- ChemSpider ID 6321
CCC(=O)C Copy Copied -->
InChI=1S/C4H8O/c1-3- 4(2)5/h3H2,1-2H3 Copy Copied -->
ZWEHNKRNPOVVGH - UHFFFAOYSA-N Copy Copied -->
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NIST Chemistry WebBook , SRD 69
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- Formula : C 5 H 10 O
- Molecular weight : 86.1323
- IUPAC Standard InChIKey: XNLICIUVMPYHGG-UHFFFAOYSA-N Copy
- CAS Registry Number: 107-87-9
- Other names: Ethyl acetone; Methyl n-propyl ketone; Methyl propyl ketone; Propyl methyl ketone; n-C3H7COCH3; Pentan-2-one; Metylopropyloketon; UN 1249; n-Propyl methyl ketone; Pentanone-2; NSC 5350
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Data compiled by: Coblentz Society, Inc.
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
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IR Spectra for Tert-Butanol
Based on quantum chemical computation.
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Infrared (IR) spectra for tert-Butanol have been precisely estimated based on quantum chemical calculations and available for purchase. The IR spectrum table and chart are provided via a web-based graphical user interface (GUI). The table lists the vibrational frequencies and IR intensities. The chart is re-scalable with the zoom-in and zoom-out capability, and provides the normalization, scaling factor, as well as full width at half maximum (FWHM), etc. The IR data may be saved as a JDX (JCAMP Chemical Spectroscopic Data Exchange Format) file.
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The IR spectra for tert-Butanol have been estimated based on the data derived from quantum chemical computations under DFT (Density Functional Theory) in conjunction with prediction methods based upon advanced modeling approaches. Please refer to the “How Are They Determined?” in our IR spectra page for more information.
More Data and Information on Tert-Butanol
The following data and information on tert-Butanol are additionally available for purchase from our -->Mol-Instincts --> chemical database. You may access the entire data and information below for the 20 sample substances as well at no cost.
-->Physicochemical, Thermodynamic, and Transport Properties --> (Try Free for 20 Sample Substances)
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Molecular descriptors of 2,004 values in 24 categories (try free for 20 sample substances), other names of tert-butanol.
- tert-Butanol, certified reference material, 5000 mug/mL in methanol
- tert-Butanol, puriss. p.a., ACS reagent, >=99.7% (GC)
- 2-Methyl-2-propanol, Trimethylcarbinol, tert-Butanol
- tert-Butyl alcohol, ACS, 99.0% min. 250ml
- tert-Butanol, SAJ special grade, >=99.0%
- tert-Butanol, TEBOL(R) 99, >=99.3%
- tert-Butanol, SAJ first grade, >=98.0%
- Butyl Alcohol (tert)- Reagent Grade ACS
- tert-Butanol, ACS reagent, >=99.0%
- tert-Butanol, technical grade, 95.0%
- tert-Butanol, for HPLC, >=99.5%
- PROPYL, 2-HYDROXY-2-METHYL-
- tert-Butanol, anhydrous, >=99.5%
- tert-Butanol, p.a., 99.0%
- tert-Butanol, analytical standard
- tert-Butanol, >=99% (GC)
- Tertiary butyl alcohol reagent
- EC 200-889-7
- Ethanol, 1,1-Dimethyl-
- 2-Methyl n-propan-2-ol
- tert-Butanol ACS reagent
- tert-Butanol; >99%
- 1,1-dimethyl ethanol
- Methyl-2 propanol-2
- Tert.-butyl alcohol
- tert-Butyl hydroxide
- tert. butyl alcohol
- tert-Butanol, AR
- tert.butyl alcohol
- t-Butyl alchohol
- tert. Butanol
- tertbutyl alcohol
- tert -butanol
- tert Butyl Alcohol
- tert Butanol
- tert-Butan-1-13C, d9-ol
- tert-Butyl alcohol, anhydrous
- Alcool butylique tertiaire [French]
- tert- butyl alcohol
- Butanol tertiaire [French]
- tertiary butanol
- Caswell No. 124A
- tertiary Butyl Alcohol
- Methanol, trimethyl-
- Alcool butylique tertiaire
- Trimethyl carbinol
- T-BUTYL ALCOHOL
- Butanol tertiaire
- Tertiary-Butyl Alcohol
- 2-Propanol, 2-methyl-
- Trimethyl methanol
- t-Butyl hydroxide
- tert-Butyl alcohol
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