| SpectraBase Compound ID | Ig0eZZ9Vqph |
|---|---|
| InChI | InChI=1S/C3H4O3S.Na/c4-2(1-7)3(5)6;/h7H,1H2,(H,5,6);/q;+1/p-1 |
| InChIKey | CODUSAVZTZYYDD-UHFFFAOYSA-M |
| Mol Weight | 142.1 g/mol |
| Molecular Formula | C3H3NaO3S |
| Exact Mass | 141.970059 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3t3IKXpnD9M |
|---|---|
| Name | Sodium mercaptopyruvate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.970059408 u |
| Formula | C3H3NaO3S |
| InChI | InChI=1S/C3H4O3S.Na/c4-2(1-7)3(5)6;/h7H,1H2,(H,5,6);/q;+1/p-1 |
| InChIKey | CODUSAVZTZYYDD-UHFFFAOYSA-M |
| Molecular Weight | 142.104 g/mol |
| SMILES | [Na+].C(C([O-])=O)(=O)CS |
| Spectrum/Structure Validation Score (Raman) | 0.93977 |