| SpectraBase Compound ID | FDxobuzADfw |
|---|---|
| InChI | InChI=1S/C6H7NO3S/c1-10-6(9)2-5-7-4(8)3-11-5/h2H,3H2,1H3,(H,7,8)/b5-2- |
| InChIKey | YERBFSSSKXIGIJ-DJWKRKHSSA-N |
| Mol Weight | 173.19 g/mol |
| Molecular Formula | C6H7NO3S |
| Exact Mass | 173.014664 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4d60gr9RjL6 |
|---|---|
| Name | Acetic acid, (4-oxo-2-thiazolidinylidene)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.014664260 u |
| Formula | C6H7NO3S |
| InChI | InChI=1S/C6H7NO3S/c1-10-6(9)2-5-7-4(8)3-11-5/h2H,3H2,1H3,(H,7,8)/b5-2- |
| InChIKey | YERBFSSSKXIGIJ-DJWKRKHSSA-N |
| SMILES | N1C(CS\C1=C\C(=O)OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.972824 |