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1-Chloro-4-methyl-3-(phenylsulfanyl)-2-pentanone
SpectraBase Compound ID G6xqjCERciY
InChI InChI=1S/C12H15ClOS/c1-9(2)12(11(14)8-13)15-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChIKey REXQGAVEOJFRMU-UHFFFAOYSA-N
Mol Weight 242.76 g/mol
Molecular Formula C12H15ClOS
Exact Mass 242.053214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjoGBsKvBL
Name 1-Chloro-4-methyl-3-(phenylsulfanyl)-2-pentanone
CAS Registry Number 69798-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClOS
InChI InChI=1S/C12H15ClOS/c1-9(2)12(11(14)8-13)15-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChIKey REXQGAVEOJFRMU-UHFFFAOYSA-N
Molecular Weight 242.764 g/mol
SMILES CC(C)C(C(CCl)=O)Sc1ccccc1
SPLASH splash10-0aor-9600000000-d67641cf1539a4c07190
Source of Spectrum W5-1989-9465-1
Synonyms 1-Chloranyl-4-methyl-3-phenylsulfanyl-pentan-2-one 1-Chloro-4-methyl-3-(phenylthio)-2-pentanone 1-Chloro-4-methyl-3-(phenylthio)pentan-2-one 1-Chloro-4-methyl-3-phenylsulfanyl-pentan-2-one 2-Propanone, 1-phenylthio-1-(1-methylethyl)-3-chloro-
Wiley ID 1244770