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4-[3'-(Methylthio)phenyl]-4-oxobutyric acid

View entire compound with spectra: 1 MS (GC)

4-[3'-(Methylthio)phenyl]-4-oxobutyric acid
SpectraBase Compound ID 1GwXepUYwm6
InChI InChI=1S/C11H14O2S/c1-14-10-6-2-4-9(8-10)5-3-7-11(12)13/h2,4,6,8H,3,5,7H2,1H3,(H,12,13)
InChIKey JRKCCVSAAVGUIT-UHFFFAOYSA-N
Mol Weight 210.29 g/mol
Molecular Formula C11H14O2S
Exact Mass 210.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6N8cyYbxVtx
Name 4-[3'-(Methylthio)phenyl]-4-oxobutyric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-14-10-6-2-4-9(8-10)5-3-7-11(12)13/h2,4,6,8H,3,5,7H2,1H3,(H,12,13)
InChIKey JRKCCVSAAVGUIT-UHFFFAOYSA-N
Molecular Weight 210.291 g/mol
SMILES OC(=O)CCCc1cc(SC)ccc1
SPLASH splash10-0ik9-0970000000-a41ec8105ad1782c3c24
Source of Spectrum SK-28-3496-7
Synonyms 4-[3'-(Methylthio)phenyl]-butyric acid 4-[3-(methylthio)phenyl]butanoic acid 4-(3-Methylsulfanylphenyl)butanoic acid
Wiley ID 880159