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3-(Phenylthio)butanoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(Phenylthio)butanoic acid methyl ester
SpectraBase Compound ID 6E3wcb1Incn
InChI InChI=1S/C11H14O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey HGIOPWJVKFOFPO-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 E327gjBDHmI
Name 3-(Phenylthio)butanoic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2S
InChI InChI=1S/C11H14O2S/c1-9(8-11(12)13-2)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey HGIOPWJVKFOFPO-UHFFFAOYSA-N
Molecular Weight 210.291 g/mol
SMILES C(C(=O)OC)C(Sc1ccccc1)C
SPLASH splash10-08fr-4920000000-a5657b3b15421a234e5b
Source of Spectrum SK-26-2195-0
Synonyms 3-(Phenylthio)butyric acid methyl ester
Wiley ID 867175