| SpectraBase Compound ID | ESmETZRCTZF |
|---|---|
| InChI | InChI=1S/C9H11NS/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3 |
| InChIKey | PXPDFFJWBRUIQH-UHFFFAOYSA-N |
| Mol Weight | 165.25 g/mol |
| Molecular Formula | C9H11NS |
| Exact Mass | 165.061221 g/mol |
| SpectraBase Spectrum ID | JE0plAhU4Qb |
|---|---|
| Name | N-Methylthioacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.061220532 u |
| Formula | C9H11NS |
| InChI | InChI=1S/C9H11NS/c1-8(11)10(2)9-6-4-3-5-7-9/h3-7H,1-2H3 |
| InChIKey | PXPDFFJWBRUIQH-UHFFFAOYSA-N |
| Molecular Weight | 165.254 g/mol |
| SMILES | C(N(C=1C=CC=CC1)C)(=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922064 |