| SpectraBase Compound ID | HOCMSeNX631 |
|---|---|
| InChI | InChI=1S/C13H12N2O3S/c1-18-13(17)10-8-19-11(15-10)7-14-12(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16) |
| InChIKey | FULLYFQUCXSTTC-UHFFFAOYSA-N |
| Mol Weight | 276.31 g/mol |
| Molecular Formula | C13H12N2O3S |
| Exact Mass | 276.056863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Innyczpc7eF |
|---|---|
| Name | Methyl 2-(benzamidomethyl)thiazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.056863425 u |
| Formula | C13H12N2O3S |
| InChI | InChI=1S/C13H12N2O3S/c1-18-13(17)10-8-19-11(15-10)7-14-12(16)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16) |
| InChIKey | FULLYFQUCXSTTC-UHFFFAOYSA-N |
| SMILES | C=1(N=C(CNC(=O)C=2C=CC=CC2)SC1)C(=O)OC |