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2-Pentanone, 3-methyl-1-(phenylthio)-
SpectraBase Compound ID 5PMUGPpA5XR
InChI InChI=1S/C12H16OS/c1-3-10(2)12(13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKey CBOMHJKMAMPQMJ-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFXRu5z5h18
Name 2-Pentanone, 3-methyl-1-(phenylthio)-
CAS Registry Number 66032-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-3-10(2)12(13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKey CBOMHJKMAMPQMJ-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES C(CSc1ccccc1)(=O)C(CC)C
SPLASH splash10-004r-9820000000-28a56a0ce9c739b4524c
Source of Spectrum H-61-87-0
Synonyms 3-Methyl-1-(phenylsulfanyl)-2-pentanone 3-Methyl-1-phenylthio-2-pentanone 3-Methyl-1-(phenylthio)-2-pentanone 3-Methyl-1-phenylsulfanylpentan-2-one 3-Methyl-1-phenylsulfanyl-pentan-2-one
Wiley ID 1206717