| SpectraBase Compound ID | J1TwVwXABQg |
|---|---|
| InChI | InChI=1S/C9H9NO2S/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) |
| InChIKey | WMSSBLAAUOSDQG-UHFFFAOYSA-N |
| Mol Weight | 195.24 g/mol |
| Molecular Formula | C9H9NO2S |
| Exact Mass | 195.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JusXb0nmnvy |
|---|---|
| Name | N-Carboxymethylthiobenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.035399706 u |
| Formula | C9H9NO2S |
| InChI | InChI=1S/C9H9NO2S/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) |
| InChIKey | WMSSBLAAUOSDQG-UHFFFAOYSA-N |
| SMILES | N(C(=S)c1ccccc1)CC(=O)O |