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2(5H)-Furanone, 3-methyl-5-[(phenylthio)methyl]-
SpectraBase Compound ID KOXDyx1XB8a
InChI InChI=1S/C12H12O2S/c1-9-7-10(14-12(9)13)8-15-11-5-3-2-4-6-11/h2-7,10H,8H2,1H3
InChIKey IBHPYRRLQNXNBD-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rSb4l2x25m
Name 2(5H)-Furanone, 3-methyl-5-[(phenylthio)methyl]-
CAS Registry Number 80741-98-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-9-7-10(14-12(9)13)8-15-11-5-3-2-4-6-11/h2-7,10H,8H2,1H3
InChIKey IBHPYRRLQNXNBD-UHFFFAOYSA-N
Molecular Weight 220.286 g/mol
SMILES C1(C(=CC(O1)CSc1ccccc1)C)=O
SPLASH splash10-00di-1910000000-a4c49b000e737e25257e
Source of Spectrum H-64-2276-0
Synonyms 3-Methyl-5-phenylthiomethyl-2(5H)-furanone 3-Methyl-5-[(phenylsulfanyl)methyl]-2(5H)-furanone
Wiley ID 1219626