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2-Butanone, 3-(phenylthio)-
SpectraBase Compound ID 5LY3SZdQLv9
InChI InChI=1S/C10H12OS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKey NLDFYTXSKOMASR-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaXdZAXXVJn
Name 2-Butanone, 3-(phenylthio)-
CAS Registry Number 13023-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKey NLDFYTXSKOMASR-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES c1cc(ccc1)SC(C)C(=O)C
SPLASH splash10-000i-3900000000-88e497ce1824165b88aa
Synonyms 3-(Phenylsulfanyl)-2-butanone 3-(Phenylthio)-2-butanone 3-(Phenylthio)butan-2-one 3-Phenylsulfanylbutan-2-one
Wiley ID 1489491