| SpectraBase Compound ID | 2FWkTrHaT4h |
|---|---|
| InChI | InChI=1S/C11H7N3OS/c15-11(10-6-3-7-16-10)14-9-5-2-1-4-8(9)12-13-14/h1-7H |
| InChIKey | NPHXTBJFXYNMCF-UHFFFAOYSA-N |
| Mol Weight | 229.26 g/mol |
| Molecular Formula | C11H7N3OS |
| Exact Mass | 229.030983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1dARukvhf8C |
|---|---|
| Name | 1-(2-Thienylcarbonyl)-1H-benzotriazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.030983030 u |
| Formula | C11H7N3OS |
| InChI | InChI=1S/C11H7N3OS/c15-11(10-6-3-7-16-10)14-9-5-2-1-4-8(9)12-13-14/h1-7H |
| InChIKey | NPHXTBJFXYNMCF-UHFFFAOYSA-N |
| Molecular Weight | 229.257 g/mol |
| SMILES | C=1(SC=CC1)C(=O)N1N=NC2=C1C=CC=C2 |