| SpectraBase Compound ID | FtWb5WjCP0z |
|---|---|
| InChI | InChI=1S/C17H23N3O/c1-14(2)8-7-11-17(3,21)16-13-20(19-18-16)12-15-9-5-4-6-10-15/h4-6,8-10,13,21H,7,11-12H2,1-3H3 |
| InChIKey | PWIHIPMFEKGAGC-UHFFFAOYSA-N |
| Mol Weight | 285.39 g/mol |
| Molecular Formula | C17H23N3O |
| Exact Mass | 285.184112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uu5UGf6rXG |
|---|---|
| Name | 2-(1-Benzyl-1H-1,2,3-triazole-4-yl)-6-methylhept-5-en-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.184112372 u |
| Formula | C17H23N3O |
| InChI | InChI=1S/C17H23N3O/c1-14(2)8-7-11-17(3,21)16-13-20(19-18-16)12-15-9-5-4-6-10-15/h4-6,8-10,13,21H,7,11-12H2,1-3H3 |
| InChIKey | PWIHIPMFEKGAGC-UHFFFAOYSA-N |
| SMILES | C=1(N=NN(CC=2C=CC=CC2)C1)C(C)(O)CCC=C(C)C |