| SpectraBase Compound ID | 8SWEPgxouLA |
|---|---|
| InChI | InChI=1S/C5H11NO2S/c1-8-5(7)4(6)3-9-2/h4H,3,6H2,1-2H3 |
| InChIKey | OMBVLJSHPJLTKD-UHFFFAOYSA-N |
| Mol Weight | 149.21 g/mol |
| Molecular Formula | C5H11NO2S |
| Exact Mass | 149.05105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8d2NTUyygNx |
|---|---|
| Name | L-Cysteine, S-methyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.051049770 u |
| Formula | C5H11NO2S |
| InChI | InChI=1S/C5H11NO2S/c1-8-5(7)4(6)3-9-2/h4H,3,6H2,1-2H3 |
| InChIKey | OMBVLJSHPJLTKD-UHFFFAOYSA-N |
| SMILES | CSCC(C(OC)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.811547 |