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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 ECNOHwwu9lm
Name 3-Chloro-5,5-dimethyl-2-cyclohexenone
CAS Registry Number 17530-69-7
Comments Less than 3 mono-isotopic peaks
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 C1(=O)C=C(Cl)CC(C)(C)C1
SPLASH splash10-0udi-0900000000-b629f9b70d48ac262b9e
Source of Spectrum J-46-4913-0
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 1155107