| SpectraBase Compound ID | 31yhrhJJfQA |
|---|---|
| InChI | InChI=1S/C18H17N3O/c1-12-9-13(2)17(14(3)10-12)18(22)16-11-21(20-19-16)15-7-5-4-6-8-15/h4-11H,1-3H3 |
| InChIKey | CLYONSNMTNETQR-UHFFFAOYSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C18H17N3O |
| Exact Mass | 291.137162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GtxCMVC3rnT |
|---|---|
| Name | (1-Phenyl-1,2,3-triazol-4-yl)-(2,4,6-trimethylphenyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.137162178 u |
| Formula | C18H17N3O |
| InChI | InChI=1S/C18H17N3O/c1-12-9-13(2)17(14(3)10-12)18(22)16-11-21(20-19-16)15-7-5-4-6-8-15/h4-11H,1-3H3 |
| InChIKey | CLYONSNMTNETQR-UHFFFAOYSA-N |
| SMILES | C=1(N=NN(C1)C=1C=CC=CC1)C(C=1C(=CC(=CC1C)C)C)=O |