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S-Methyl-L-cysteine, N-(methoxycarbonyl)-, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

S-Methyl-L-cysteine, N-(methoxycarbonyl)-, methyl ester
SpectraBase Compound ID 5y9xCaxi40b
InChI InChI=1S/C7H13NO4S/c1-11-6(9)5(4-13-3)8-7(10)12-2/h5H,4H2,1-3H3,(H,8,10)
InChIKey DWNHKNHBAFRNLW-UHFFFAOYSA-N
Mol Weight 207.24 g/mol
Molecular Formula C7H13NO4S
Exact Mass 207.056529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4xTBPUy7a19
Name S-Methyl-L-cysteine, N-(methoxycarbonyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.056529073 u
Formula C7H13NO4S
InChI InChI=1S/C7H13NO4S/c1-11-6(9)5(4-13-3)8-7(10)12-2/h5H,4H2,1-3H3,(H,8,10)
InChIKey DWNHKNHBAFRNLW-UHFFFAOYSA-N
Molecular Weight 207.244 g/mol
SMILES CSCC(C(OC)=O)NC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9564