| SpectraBase Compound ID | 4XPKcbGr9Um |
|---|---|
| InChI | InChI=1S/C13H17N3O/c1-10-14-15-12(9-13(2,3)17)16(10)11-7-5-4-6-8-11/h4-8,17H,9H2,1-3H3 |
| InChIKey | PAJNDGMTRQLFOJ-UHFFFAOYSA-N |
| Mol Weight | 231.3 g/mol |
| Molecular Formula | C13H17N3O |
| Exact Mass | 231.137162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fBgLD0aeNe |
|---|---|
| Name | 3-(2-Hydroxy-2-methyl-1-propyl)-5-methyl-4-phenyl-1,2,4-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.137162178 u |
| Formula | C13H17N3O |
| InChI | InChI=1S/C13H17N3O/c1-10-14-15-12(9-13(2,3)17)16(10)11-7-5-4-6-8-11/h4-8,17H,9H2,1-3H3 |
| InChIKey | PAJNDGMTRQLFOJ-UHFFFAOYSA-N |
| Molecular Weight | 231.299 g/mol |
| SMILES | C=1(N(C(C)=NN1)C=1C=CC=CC1)CC(O)(C)C |