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Cysteine, N-ethoxycarbonyl-S-ethyl-, ethyl ester

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Cysteine, N-ethoxycarbonyl-S-ethyl-, ethyl ester
SpectraBase Compound ID 5IGEXLIDLUm
InChI InChI=1S/C10H19NO4S/c1-4-14-9(12)8(7-16-6-3)11-10(13)15-5-2/h8H,4-7H2,1-3H3,(H,11,13)
InChIKey OHKWQGJBHMRWSP-UHFFFAOYSA-N
Mol Weight 249.32 g/mol
Molecular Formula C10H19NO4S
Exact Mass 249.103479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EjPr3foTe5U
Name Cysteine, N-ethoxycarbonyl-S-ethyl-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.103479266 u
Formula C10H19NO4S
InChI InChI=1S/C10H19NO4S/c1-4-14-9(12)8(7-16-6-3)11-10(13)15-5-2/h8H,4-7H2,1-3H3,(H,11,13)
InChIKey OHKWQGJBHMRWSP-UHFFFAOYSA-N
Molecular Weight 249.325 g/mol
SMILES CCSCC(C(OCC)=O)NC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948192