| SpectraBase Compound ID | NGqWAW7b5X |
|---|---|
| InChI | InChI=1S/C17H17N5O3/c1-24-13-9-8-11(10-14(13)25-2)15(23)19-17-20-16(18)22(21-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H3,18,19,20,21,23) |
| InChIKey | OMISMCYZBFIOJV-UHFFFAOYSA-N |
| Mol Weight | 339.36 g/mol |
| Molecular Formula | C17H17N5O3 |
| Exact Mass | 339.133139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2k1e7pUOGpr |
|---|---|
| Name | N-(5-Amino-1-phenyl-1H-1,2,4-triazol-3-yl)-3,4-dimethoxybenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.133139424 u |
| Formula | C17H17N5O3 |
| InChI | InChI=1S/C17H17N5O3/c1-24-13-9-8-11(10-14(13)25-2)15(23)19-17-20-16(18)22(21-17)12-6-4-3-5-7-12/h3-10H,1-2H3,(H3,18,19,20,21,23) |
| InChIKey | OMISMCYZBFIOJV-UHFFFAOYSA-N |
| SMILES | N(C=1N=C(N(N1)C1=CC=CC=C1)N)C(C1=CC(OC)=C(C=C1)OC)=O |