| SpectraBase Compound ID | DEzU9MEGZpW |
|---|---|
| InChI | InChI=1S/C18H17N3O2/c1-2-23-18(22)16-10-8-15(9-11-16)17-12-19-20-21(17)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3 |
| InChIKey | OJFBJFORELGRKV-UHFFFAOYSA-N |
| Mol Weight | 307.35 g/mol |
| Molecular Formula | C18H17N3O2 |
| Exact Mass | 307.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1byoX33mdh9 |
|---|---|
| Name | 4-(1-Benzyl-1H-1,2,3-triazol-5-yl)benzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.132076797 u |
| Formula | C18H17N3O2 |
| InChI | InChI=1S/C18H17N3O2/c1-2-23-18(22)16-10-8-15(9-11-16)17-12-19-20-21(17)13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3 |
| InChIKey | OJFBJFORELGRKV-UHFFFAOYSA-N |
| Molecular Weight | 307.353 g/mol |
| SMILES | C(N1C(C=2C=CC(C(=O)OCC)=CC2)=CN=N1)C1=CC=CC=C1 |