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4-methyl-5-oxidanyl-1-phenylsulfanyl-pentan-2-one

View entire compound with spectra: 1 MS (GC)

4-methyl-5-oxidanyl-1-phenylsulfanyl-pentan-2-one
SpectraBase Compound ID GY0UlTNM5ZW
InChI InChI=1S/C12H16O2S/c1-10(8-13)7-11(14)9-15-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3
InChIKey YFEQGTBOPIQYLO-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K3xZHGeoaR
Name 4-methyl-5-oxidanyl-1-phenylsulfanyl-pentan-2-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-10(8-13)7-11(14)9-15-12-5-3-2-4-6-12/h2-6,10,13H,7-9H2,1H3
InChIKey YFEQGTBOPIQYLO-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES OCC(CC(CSc1ccccc1)=O)C
SPLASH splash10-0a4i-0090000000-9c0aa9d795409aea2168
Source of Spectrum J-60-8386-6
Synonyms 5-hydroxy-4-methyl-1-(phenylthio)-2-pentanone 5-hydroxy-4-methyl-1-(phenylthio)pentan-2-one 5-hydroxy-4-methyl-1-phenylsulfanyl-pentan-2-one
Wiley ID 1224883