John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F5AC3oO84KT SpectraBase Spectrum ID=9HL1iLw1I4l

(accessed ).
3-chloro-2,5,5-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID F5AC3oO84KT
InChI InChI=1S/C9H13ClO/c1-6-7(10)4-9(2,3)5-8(6)11/h4-5H2,1-3H3
InChIKey QRYPTOPEAVUACF-UHFFFAOYSA-N
Mol Weight 172.65 g/mol
Molecular Formula C9H13ClO
Exact Mass 172.065493 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9HL1iLw1I4l
Name 3-CHLORO-2,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE
Source of Sample R. D. Clark & C. H. Heathcock, University of California, Berkeley, California
Boiling Point 78C/2mm
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClO
InChI InChI=1S/C9H13ClO/c1-6-7(10)4-9(2,3)5-8(6)11/h4-5H2,1-3H3
InChIKey QRYPTOPEAVUACF-UHFFFAOYSA-N
Literature Reference Abstract-Chemical Abstracts= 80, 70391(1974)
Molecular Weight 172.651993
SpectraBase Batch ID ChLdKpGc81y
Synonyms 2-CYCLOHEXEN-1-ONE, 3-CHLORO- 2,5,5-TRIMETHYL-,
Technique CAPILLARY CELL: NEAT