| SpectraBase Compound ID | LBrMobTfIdM |
|---|---|
| InChI | InChI=1S/C9H12N2O3S/c1-11-9(12)6-15(13,14)8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12) |
| InChIKey | FGCHMCATHIONSC-UHFFFAOYSA-N |
| Mol Weight | 228.27 g/mol |
| Molecular Formula | C9H12N2O3S |
| Exact Mass | 228.056863 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3M5yRWPl1NZ |
|---|---|
| Name | N-Methyl-2-sulfanilylacetamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.056863425 u |
| Formula | C9H12N2O3S |
| InChI | InChI=1S/C9H12N2O3S/c1-11-9(12)6-15(13,14)8-4-2-7(10)3-5-8/h2-5H,6,10H2,1H3,(H,11,12) |
| InChIKey | FGCHMCATHIONSC-UHFFFAOYSA-N |
| Molecular Weight | 228.266 g/mol |
| SMILES | NC1=CC=C(S(CC(NC)=O)(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.9008 |