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1-Chloro-3-(phenylsulfanyl)-2-butanone
SpectraBase Compound ID 2I8Hs15qou4
InChI InChI=1S/C10H11ClOS/c1-8(10(12)7-11)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey ZWNSGIHDEAXRCQ-UHFFFAOYSA-N
Mol Weight 214.71 g/mol
Molecular Formula C10H11ClOS
Exact Mass 214.021914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SJztfY0l7E
Name 1-Chloro-3-(phenylsulfanyl)-2-butanone
CAS Registry Number 87231-12-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11ClOS
InChI InChI=1S/C10H11ClOS/c1-8(10(12)7-11)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKey ZWNSGIHDEAXRCQ-UHFFFAOYSA-N
Molecular Weight 214.710 g/mol
SMILES CC(C(CCl)=O)Sc1ccccc1
SPLASH splash10-000i-8900000000-b7687beeade32c3b2fce
Source of Spectrum W5-1989-9466-1
Synonyms 1-Chloranyl-3-phenylsulfanyl-butan-2-one 1-Chloro-3-(phenylthio)-2-butanone 1-Chloro-3-(phenylthio)butan-2-one 1-Chloro-3-phenylsulfanyl-butan-2-one 2-Propanone, 1-phenylthio-1-methyl-3-chloro-
Wiley ID 1213137