![[5-(Hydroxymethyl)-3-(4-nitrophenyl)-1,2,3-triazol-4-yl]methanol](/api/spectrum/68IsukxMoQk/structure.png?h=300&w=458 "[5-(Hydroxymethyl)-3-(4-nitrophenyl)-1,2,3-triazol-4-yl]methanol")
| SpectraBase Compound ID | EkTVUp05a9y |
|---|---|
| InChI | InChI=1S/C10H10N4O4/c15-5-9-10(6-16)13(12-11-9)7-1-3-8(4-2-7)14(17)18/h1-4,15-16H,5-6H2 |
| InChIKey | SWSVJLULXFWVRW-UHFFFAOYSA-N |
| Mol Weight | 250.21 g/mol |
| Molecular Formula | C10H10N4O4 |
| Exact Mass | 250.070205 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68IsukxMoQk |
|---|---|
| Name | [5-(Hydroxymethyl)-3-(4-nitrophenyl)-1,2,3-triazol-4-yl]methanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.070204814 u |
| Formula | C10H10N4O4 |
| InChI | InChI=1S/C10H10N4O4/c15-5-9-10(6-16)13(12-11-9)7-1-3-8(4-2-7)14(17)18/h1-4,15-16H,5-6H2 |
| InChIKey | SWSVJLULXFWVRW-UHFFFAOYSA-N |
| Molecular Weight | 250.214 g/mol |
| SMILES | C=1(N=NN(C1CO)C=1C=CC(=CC1)N(=O)=O)CO |