| SpectraBase Compound ID | 9mU9okK8IQa |
|---|---|
| InChI | InChI=1S/C10H10N4O3/c1-16-10(15)7-2-4-8(5-3-7)17-6-9-11-13-14-12-9/h2-5H,6H2,1H3,(H,11,12,13,14) |
| InChIKey | YPPQFOJGISOBPJ-UHFFFAOYSA-N |
| Mol Weight | 234.21 g/mol |
| Molecular Formula | C10H10N4O3 |
| Exact Mass | 234.07529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZvPepTgIXp |
|---|---|
| Name | Benzoic acid, 4-(1H-1,2,3,4-tetrazol-5-ylmethoxy)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.075290195 u |
| Formula | C10H10N4O3 |
| InChI | InChI=1S/C10H10N4O3/c1-16-10(15)7-2-4-8(5-3-7)17-6-9-11-13-14-12-9/h2-5H,6H2,1H3,(H,11,12,13,14) |
| InChIKey | YPPQFOJGISOBPJ-UHFFFAOYSA-N |
| Molecular Weight | 234.215 g/mol |
| SMILES | C1=CC(OCC2=NN=NN2)=CC=C1C(OC)=O |