| SpectraBase Compound ID | 61nACTywFTe |
|---|---|
| InChI | InChI=1S/C9H8FN5O/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 | OEAKYOSTDSDPGZ-UHFFFAOYSA-N |
| Mol Weight | 221.2 g/mol |
| Molecular Formula | C9H8FN5O |
| Exact Mass | 221.071288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hj5BR5iTQrp |
|---|---|
| Name | 2-Fluoro-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 | 221.071288060 u |
| Formula | C9H8FN5O |
| InChI | InChI=1S/C9H8FN5O/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 | OEAKYOSTDSDPGZ-UHFFFAOYSA-N |
| Molecular Weight | 221.195 g/mol |
| SMILES | N(C=1N(N=NN1)C)C(C=1C(F)=CC=CC1)=O |