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Ethyl 2-(benzylsulfanyl)propanoate
SpectraBase Compound ID DsNPTNANz3Y
InChI InChI=1S/C12H16O2S/c1-3-14-12(13)10(2)15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKey KIQWCXXXGXNNGQ-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 JSQDFULQXbi
Name Ethyl 2-(benzylsulfanyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-3-14-12(13)10(2)15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
InChIKey KIQWCXXXGXNNGQ-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES C(C(C)SCc1ccccc1)(=O)OCC
SPLASH splash10-00dl-9500000000-5f3693d9a2c679f17694
Source of Spectrum KD-16-2589-11
Synonyms 2-(Phenylmethylthio)propanoic acid ethyl ester Ethyl 2-benzylsulfanylpropanoate Ethyl 2-(phenylmethylsulfanyl)propanoate
Wiley ID 1637897