| SpectraBase Compound ID | C5LihR20XFD |
|---|---|
| InChI | InChI=1S/C13H9BrN4O/c14-10-6-8-12(9-7-10)19-13-15-16-17-18(13)11-4-2-1-3-5-11/h1-9H |
| InChIKey | SAAOENYAGZDOLS-UHFFFAOYSA-N |
| Mol Weight | 317.15 g/mol |
| Molecular Formula | C13H9BrN4O |
| Exact Mass | 315.995974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oKKUkhg2Wb |
|---|---|
| Name | 5-(4-Bromo-phenoxy)-1-phenyl-1H-tetrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.995973925 u |
| Formula | C13H9BrN4O |
| InChI | InChI=1S/C13H9BrN4O/c14-10-6-8-12(9-7-10)19-13-15-16-17-18(13)11-4-2-1-3-5-11/h1-9H |
| InChIKey | SAAOENYAGZDOLS-UHFFFAOYSA-N |
| Molecular Weight | 317.146 g/mol |
| SMILES | C=1(N(C=2C=CC=CC2)N=NN1)OC1=CC=C(C=C1)Br |