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3-[(4-methylsulfanylphenyl)-oxidanyl-methyl]but-3-en-2-one
SpectraBase Compound ID IRpiBX6YOxj
InChI InChI=1S/C12H14O2S/c1-8(9(2)13)12(14)10-4-6-11(15-3)7-5-10/h4-7,12,14H,1H2,2-3H3
InChIKey QDUMNJGWLBHQBH-UHFFFAOYSA-N
Mol Weight 222.3 g/mol
Molecular Formula C12H14O2S
Exact Mass 222.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJ5Mi4kx4ZU
Name 3-[(4-methylsulfanylphenyl)-oxidanyl-methyl]but-3-en-2-one
Alternate Name(s) 3-[hydroxy-(4-methylsulfanylphenyl)methyl]but-3-en-2-one 3-[hydroxy-[4-(methylthio)phenyl]methyl]-3-buten-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O2S
InChI InChI=1S/C12H14O2S/c1-8(9(2)13)12(14)10-4-6-11(15-3)7-5-10/h4-7,12,14H,1H2,2-3H3
InChIKey QDUMNJGWLBHQBH-UHFFFAOYSA-N
Molecular Weight 222.302 g/mol
SMILES OC(C(C(C)=O)=C)c1ccc(cc1)SC
SPLASH splash10-0fi0-0930000000-9bcb90ca04a6fecba00c
Source of Spectrum F-62-875-15
Wiley ID 1632035