| SpectraBase Compound ID | LV9vugHINPK |
|---|---|
| InChI | InChI=1S/C10H13NOS/c1-8(10(11)12)7-13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12) |
| InChIKey | RXKZDYVSDAJBLX-UHFFFAOYSA-N |
| Mol Weight | 195.28 g/mol |
| Molecular Formula | C10H13NOS |
| Exact Mass | 195.071785 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 13p9wbnQJQt |
|---|---|
| Name | 2-Methyl-3-(phenylthio)propionamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.071785216 u |
| Formula | C10H13NOS |
| InChI | InChI=1S/C10H13NOS/c1-8(10(11)12)7-13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2,11,12) |
| InChIKey | RXKZDYVSDAJBLX-UHFFFAOYSA-N |
| Molecular Weight | 195.280 g/mol |
| SMILES | C=1C(=CC=CC1)SCC(C(N)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.98248 |