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S-Methyl-L-cysteine, N-(ethoxycarbonyl)-, ethyl ester

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

S-Methyl-L-cysteine, N-(ethoxycarbonyl)-, ethyl ester
SpectraBase Compound ID 2dZLI0VXFi0
InChI InChI=1S/C9H17NO4S/c1-4-13-8(11)7(6-15-3)10-9(12)14-5-2/h7H,4-6H2,1-3H3,(H,10,12)
InChIKey RAKDFLONIWMVGM-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C9H17NO4S
Exact Mass 235.087829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EdqNhozPkjI
Name S-Methyl-L-cysteine, N-(ethoxycarbonyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.087829201 u
Formula C9H17NO4S
InChI InChI=1S/C9H17NO4S/c1-4-13-8(11)7(6-15-3)10-9(12)14-5-2/h7H,4-6H2,1-3H3,(H,10,12)
InChIKey RAKDFLONIWMVGM-UHFFFAOYSA-N
Molecular Weight 235.298 g/mol
SMILES CSCC(C(OCC)=O)NC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873722