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S-Benzyl-L-cysteine, methyl ester

View entire compound with spectra: 1 FTIR

S-Benzyl-L-cysteine, methyl ester
SpectraBase Compound ID 6rMYMMLWoPQ
InChI InChI=1S/C11H15NO2S/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
InChIKey DELQRANKBWOLJQ-JTQLQIEISA-N
Mol Weight 225.31 g/mol
Molecular Formula C11H15NO2S
Exact Mass 225.08235 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KEG8eMricOn
Name S-Benzyl-L-cysteine, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.082349899 u
Formula C11H15NO2S
InChI InChI=1S/C11H15NO2S/c1-14-11(13)10(12)8-15-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1
InChIKey DELQRANKBWOLJQ-JTQLQIEISA-N
Molecular Weight 225.306 g/mol
SMILES C1=C(C=CC=C1)CSC[C@@](C(OC)=O)(N)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919108