| SpectraBase Compound ID | DgDH6yAgfU7 |
|---|---|
| InChI | InChI=1S/C9H11NS/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) |
| InChIKey | RTCFUGQNYGWPQI-UHFFFAOYSA-N |
| Mol Weight | 165.25 g/mol |
| Molecular Formula | C9H11NS |
| Exact Mass | 165.061221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AauFTHARqaB |
|---|---|
| Name | Ethanethioamide, N-(4-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.061220532 u |
| Formula | C9H11NS |
| InChI | InChI=1S/C9H11NS/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) |
| InChIKey | RTCFUGQNYGWPQI-UHFFFAOYSA-N |
| Molecular Weight | 165.254 g/mol |
| SMILES | C(=S)(C)NC1=CC=C(C)C=C1 |