| SpectraBase Compound ID | 1Ijdawni7s9 |
|---|---|
| InChI | InChI=1S/C7H15NO2S.ClH/c1-3-10-7(9)6(8)4-5-11-2;/h6H,3-5,8H2,1-2H3;1H |
| InChIKey | KPWCQEUBJAIORR-UHFFFAOYSA-N |
| Mol Weight | 213.72 g/mol |
| Molecular Formula | C7H16ClNO2S |
| Exact Mass | 213.059028 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | kK7wazifJu |
|---|---|
| Name | L-Methionine, ethyl ester, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.059027631 u |
| Formula | C7H16ClNO2S |
| InChI | InChI=1S/C7H15NO2S.ClH/c1-3-10-7(9)6(8)4-5-11-2;/h6H,3-5,8H2,1-2H3;1H |
| InChIKey | KPWCQEUBJAIORR-UHFFFAOYSA-N |
| SMILES | Cl.NC(CCSC)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.908431 |