| SpectraBase Compound ID | FEIIZpxDKzD |
|---|---|
| InChI | InChI=1S/C10H12N2O2S/c1-7(13)11-8-2-4-9(5-3-8)12-10(14)6-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14) |
| InChIKey | GGCMJWJRBNKXQC-UHFFFAOYSA-N |
| Mol Weight | 224.28 g/mol |
| Molecular Formula | C10H12N2O2S |
| Exact Mass | 224.061949 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 63fY6hSkq57 |
|---|---|
| Name | 2-Mercapto-N,N'-phenylenebisacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.061948806 u |
| Formula | C10H12N2O2S |
| InChI | InChI=1S/C10H12N2O2S/c1-7(13)11-8-2-4-9(5-3-8)12-10(14)6-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14) |
| InChIKey | GGCMJWJRBNKXQC-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1)NC(CS)=O)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.871197 |