![2-[3-(2-Hydroxyphenyl)-1H-1,2,4-triazol-5-yl]acetic acid](/api/spectrum/IrANdnNhfDY/structure.png?h=300&w=458 "2-[3-(2-Hydroxyphenyl)-1H-1,2,4-triazol-5-yl]acetic acid")
| SpectraBase Compound ID | B3ZV1Xtnbd3 |
|---|---|
| InChI | InChI=1S/C10H9N3O3/c14-7-4-2-1-3-6(7)10-11-8(12-13-10)5-9(15)16/h1-4,14H,5H2,(H,15,16)(H,11,12,13) |
| InChIKey | VJZFDAQCQACUFP-UHFFFAOYSA-N |
| Mol Weight | 219.2 g/mol |
| Molecular Formula | C10H9N3O3 |
| Exact Mass | 219.064391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrANdnNhfDY |
|---|---|
| Name | 2-[3-(2-Hydroxyphenyl)-1H-1,2,4-triazol-5-yl]acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.064391159 u |
| Formula | C10H9N3O3 |
| InChI | InChI=1S/C10H9N3O3/c14-7-4-2-1-3-6(7)10-11-8(12-13-10)5-9(15)16/h1-4,14H,5H2,(H,15,16)(H,11,12,13) |
| InChIKey | VJZFDAQCQACUFP-UHFFFAOYSA-N |
| Molecular Weight | 219.200 g/mol |
| SMILES | C1=CC=CC(=C1O)C=1N=C(CC(=O)O)NN1 |