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2,5-Cyclohexadien-1-one, 4-chloro-3,4-dimethyl-
SpectraBase Compound ID CHUCyrEsWcq
InChI InChI=1S/C8H9ClO/c1-6-5-7(10)3-4-8(6,2)9/h3-5H,1-2H3
InChIKey LOUWHLBTXFNIRO-UHFFFAOYSA-N
Mol Weight 156.61 g/mol
Molecular Formula C8H9ClO
Exact Mass 156.034193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2kpw16lT1L
Name 2,5-Cyclohexadien-1-one, 4-chloro-3,4-dimethyl-
CAS Registry Number 20361-26-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9ClO
InChI InChI=1S/C8H9ClO/c1-6-5-7(10)3-4-8(6,2)9/h3-5H,1-2H3
InChIKey LOUWHLBTXFNIRO-UHFFFAOYSA-N
Molecular Weight 156.612 g/mol
SMILES C=1(C(C=CC(C1)=O)(Cl)C)C
SPLASH splash10-05bf-6900000000-62e768ed6ad1a35ae579
Source of Spectrum I-57-556-0
Synonyms 4-Chloro-3,4-dimethyl-2,5-cyclohexadien-1-one 4-Chloro-3,4-dimethylcyclohexa-2,5-dien-1-one
Wiley ID 1153322