| SpectraBase Compound ID | 74X71wDhhL2 |
|---|---|
| InChI | InChI=1S/C16H19N3O2/c1-12(2)9-10-15(16(20)21-3)19-11-14(17-18-19)13-7-5-4-6-8-13/h4-9,11,15H,10H2,1-3H3 |
| InChIKey | BYLHXSQFKZHOSS-UHFFFAOYSA-N |
| Mol Weight | 285.35 g/mol |
| Molecular Formula | C16H19N3O2 |
| Exact Mass | 285.147727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zhEsxMwsFb |
|---|---|
| Name | Methyl 5-methyl-2-(4-phenyl-1H-1,2,3-triazol-1-yl)hex-4-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.147726862 u |
| Formula | C16H19N3O2 |
| InChI | InChI=1S/C16H19N3O2/c1-12(2)9-10-15(16(20)21-3)19-11-14(17-18-19)13-7-5-4-6-8-13/h4-9,11,15H,10H2,1-3H3 |
| InChIKey | BYLHXSQFKZHOSS-UHFFFAOYSA-N |
| Molecular Weight | 285.347 g/mol |
| SMILES | C1=C(C2=CC=CC=C2)N=NN1C(CC=C(C)C)C(OC)=O |