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Propionic acid, 2-(benzylthio)-, benzyl ester
SpectraBase Compound ID 1c2MEzKkJAA
InChI InChI=1S/C17H18O2S/c1-14(20-13-16-10-6-3-7-11-16)17(18)19-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKey LFXTVSVKLKXSSI-UHFFFAOYSA-N
Mol Weight 286.39 g/mol
Molecular Formula C17H18O2S
Exact Mass 286.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BctzwBvZMm6
Name Propionic acid, 2-(benzylthio)-, benzyl ester
CAS Registry Number 19788-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2S
InChI InChI=1S/C17H18O2S/c1-14(20-13-16-10-6-3-7-11-16)17(18)19-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChIKey LFXTVSVKLKXSSI-UHFFFAOYSA-N
Molecular Weight 286.389 g/mol
SMILES C(OCc1ccccc1)(=O)C(SCc1ccccc1)C
SPLASH splash10-0006-9300000000-2fb7f60b2bb032df54a8
Source of Spectrum AD-0-2012-0
Synonyms Benzyl 2(benzylthio)propionate Benzyl 2-(benzylsulfanyl)propanoate 2-(Phenylmethylthio)propanoic acid (phenylmethyl) ester Benzyl 2-benzylsulfanylpropanoate (phenylmethyl) 2-(phenylmethylsulfanyl)propanoate Benzyl 2-(benzylthio)propanoate
Wiley ID 1289942