| SpectraBase Compound ID | 1GKg0WkESLx |
|---|---|
| InChI | InChI=1S/C9H10N2O3S/c1-6(12)10-8-5-7(11(13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,10,12) |
| InChIKey | WIHOTALZIKUKRM-UHFFFAOYSA-N |
| Mol Weight | 226.25 g/mol |
| Molecular Formula | C9H10N2O3S |
| Exact Mass | 226.041213 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HHMX9XxyuJU |
|---|---|
| Name | 2'-(Methylthio)-5'-nitroacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.041213361 u |
| Formula | C9H10N2O3S |
| InChI | InChI=1S/C9H10N2O3S/c1-6(12)10-8-5-7(11(13)14)3-4-9(8)15-2/h3-5H,1-2H3,(H,10,12) |
| InChIKey | WIHOTALZIKUKRM-UHFFFAOYSA-N |
| Molecular Weight | 226.250 g/mol |
| SMILES | N(=O)(=O)C1=CC(=C(C=C1)SC)NC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.974028 |