| SpectraBase Compound ID | 36dfyw01Aha |
|---|---|
| InChI | InChI=1S/C9H8ClN5O/c1-15-9(12-13-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,12,14,16) |
| InChIKey | BCICIAKVSFEKTI-UHFFFAOYSA-N |
| Mol Weight | 237.65 g/mol |
| Molecular Formula | C9H8ClN5O |
| Exact Mass | 237.041738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42FuFEMaBcv |
|---|---|
| Name | 2-Chloro-N-(1-methyl-1H-tetraazol-5-yl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.041737597 u |
| Formula | C9H8ClN5O |
| InChI | InChI=1S/C9H8ClN5O/c1-15-9(12-13-14-15)11-8(16)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,12,14,16) |
| InChIKey | BCICIAKVSFEKTI-UHFFFAOYSA-N |
| SMILES | N(C=1N(N=NN1)C)C(C=1C(Cl)=CC=CC1)=O |