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Cyclohexanone, 4-[3-chloro-4-(methylthio)-3-cyclohexen-1-yl]-
SpectraBase Compound ID HTcQ6o986us
InChI InChI=1S/C13H19ClOS/c1-16-13-7-4-10(8-12(13)14)9-2-5-11(15)6-3-9/h9-10H,2-8H2,1H3
InChIKey XLRZKYIDGBYXNN-UHFFFAOYSA-N
Mol Weight 258.81 g/mol
Molecular Formula C13H19ClOS
Exact Mass 258.084514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPYUeO0BI8B
Name Cyclohexanone, 4-[3-chloro-4-(methylthio)-3-cyclohexen-1-yl]-
CAS Registry Number 63049-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19ClOS
InChI InChI=1S/C13H19ClOS/c1-16-13-7-4-10(8-12(13)14)9-2-5-11(15)6-3-9/h9-10H,2-8H2,1H3
InChIKey XLRZKYIDGBYXNN-UHFFFAOYSA-N
Molecular Weight 258.807 g/mol
SMILES C1(=C(CCC(C1)C1CCC(CC1)=O)SC)Cl
SPLASH splash10-014i-3910000000-be9f3788d373c40293fb
Source of Spectrum C-99-3109-0
Synonyms 4-(3'-Chloro-4'-methylthiocyclohex-3'-enyl)cyclohexanone 4-[3-chloro-4-(methylsulfanyl)-3-cyclohexen-1-yl]cyclohexanone
Wiley ID 1261534