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3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
SpectraBase Compound ID HX2rfcnfGS3
InChI InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChIKey PJYTYJGMJDIKEJ-UHFFFAOYSA-N
Mol Weight 158.63 g/mol
Molecular Formula C8H11ClO
Exact Mass 158.049843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tAOMcClTks
Name 3-Chloro-5,5-dimethyl-2-cyclohexenone
CAS Registry Number 17530-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11ClO
InChI InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChIKey PJYTYJGMJDIKEJ-UHFFFAOYSA-N
Molecular Weight 158.628 g/mol
SMILES CC1(C)CC(=CC(=O)C1)Cl
SPLASH splash10-0udi-5900000000-527b8a413292c7884078
Source of Spectrum JX-2012-86
Synonyms 2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl- 3-Chloro-5,5-dimethylcyclohex-2-en-1-one 3-Chloro-5,5-dimethyl-1-cyclohex-2-enone 3-Chloranyl-5,5-dimethyl-cyclohex-2-en-1-one 3-Chloro-5,5-dimethylcyclohex-2-enone 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one 3-Chloro-5,5-dimethyl-cyclohex-2-en-1-one 5,5-Dimethyl-3-chloro-2-cyclohexen-1-one 5,5-Dimethyl-3-chlorocyclohex-2-enone
Wiley ID 1660533