| SpectraBase Compound ID | B57EXP4CYWa |
|---|---|
| InChI | InChI=1S/C9H10N2OS/c1-6-2-4-7(5-3-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13) |
| InChIKey | RMGQXVZEZAISOU-UHFFFAOYSA-N |
| Mol Weight | 194.25 g/mol |
| Molecular Formula | C9H10N2OS |
| Exact Mass | 194.051384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2uUL92xfyJ |
|---|---|
| Name | 4-Methyl-N-thiocarbamoyl-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.051384123 u |
| Formula | C9H10N2OS |
| InChI | InChI=1S/C9H10N2OS/c1-6-2-4-7(5-3-6)8(12)11-9(10)13/h2-5H,1H3,(H3,10,11,12,13) |
| InChIKey | RMGQXVZEZAISOU-UHFFFAOYSA-N |
| Molecular Weight | 194.252 g/mol |
| SMILES | C(NC(=S)N)(C1=CC=C(C=C1)C)=O |