| SpectraBase Compound ID | JE3AHTD4jhE |
|---|---|
| InChI | InChI=1S/C9H8N4O2/c14-9(15)8-3-1-7(2-4-8)5-13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15) |
| InChIKey | CYMQAEKQHNYLMH-UHFFFAOYSA-N |
| Mol Weight | 204.19 g/mol |
| Molecular Formula | C9H8N4O2 |
| Exact Mass | 204.064726 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cj7pDvZKNv |
|---|---|
| Name | Benzoic acid, 4-(tetrazol-1-yl)methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.064725512 u |
| Formula | C9H8N4O2 |
| InChI | InChI=1S/C9H8N4O2/c14-9(15)8-3-1-7(2-4-8)5-13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15) |
| InChIKey | CYMQAEKQHNYLMH-UHFFFAOYSA-N |
| Molecular Weight | 204.189 g/mol |
| SMILES | C(O)(=O)C1=CC=C(CN2C=NN=N2)C=C1 |