| SpectraBase Compound ID | Bpq9GoHgwUI |
|---|---|
| InChI | InChI=1S/C18H17N3/c1-2-3-14-21-17(15-10-6-4-7-11-15)19-20-18(21)16-12-8-5-9-13-16/h2-13H,14H2,1H3/b3-2+ |
| InChIKey | MKAFJVYQCFREIT-NSCUHMNNSA-N |
| Mol Weight | 275.35 g/mol |
| Molecular Formula | C18H17N3 |
| Exact Mass | 275.142248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pQSoKRIWsV |
|---|---|
| Name | 4-Crotyl-3,5-diphenyl-4H-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.142247559 u |
| Formula | C18H17N3 |
| InChI | InChI=1S/C18H17N3/c1-2-3-14-21-17(15-10-6-4-7-11-15)19-20-18(21)16-12-8-5-9-13-16/h2-13H,14H2,1H3/b3-2+ |
| InChIKey | MKAFJVYQCFREIT-NSCUHMNNSA-N |
| Molecular Weight | 275.355 g/mol |
| SMILES | C=1(N(C(=NN1)C1=CC=CC=C1)C\C=C\C)C1=CC=CC=C1 |