![2-[(1-Phenyl-1H-1,2,3-triazol-4-yl)carbonyl]benzoic acid](/api/spectrum/DBk8wqq64X1/structure.png?h=300&w=458 "2-[(1-Phenyl-1H-1,2,3-triazol-4-yl)carbonyl]benzoic acid")
| SpectraBase Compound ID | 3T3PA3Fn0MB |
|---|---|
| InChI | InChI=1S/C16H11N3O3/c20-15(12-8-4-5-9-13(12)16(21)22)14-10-19(18-17-14)11-6-2-1-3-7-11/h1-10H,(H,21,22) |
| InChIKey | ZFZHCVWIJJMSGK-UHFFFAOYSA-N |
| Mol Weight | 293.28 g/mol |
| Molecular Formula | C16H11N3O3 |
| Exact Mass | 293.080041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DBk8wqq64X1 |
|---|---|
| Name | 2-[(1-Phenyl-1H-1,2,3-triazol-4-yl)carbonyl]benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.080041223 u |
| Formula | C16H11N3O3 |
| InChI | InChI=1S/C16H11N3O3/c20-15(12-8-4-5-9-13(12)16(21)22)14-10-19(18-17-14)11-6-2-1-3-7-11/h1-10H,(H,21,22) |
| InChIKey | ZFZHCVWIJJMSGK-UHFFFAOYSA-N |
| Molecular Weight | 293.282 g/mol |
| SMILES | C1=CC=CC(=C1C(O)=O)C(C1=CN(C2=CC=CC=C2)N=N1)=O |