![5-[2-(3,4-Dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-3-amine](/api/spectrum/6ZRKeQukaPN/structure.png?h=300&w=458 "5-[2-(3,4-Dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-3-amine")
| SpectraBase Compound ID | 60AeaB9Hgc4 |
|---|---|
| InChI | InChI=1S/C12H16N4O2/c1-17-9-5-3-8(7-10(9)18-2)4-6-11-14-12(13)16-15-11/h3,5,7H,4,6H2,1-2H3,(H3,13,14,15,16) |
| InChIKey | TUYGTXBQUUCAFY-UHFFFAOYSA-N |
| Mol Weight | 248.29 g/mol |
| Molecular Formula | C12H16N4O2 |
| Exact Mass | 248.127326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZRKeQukaPN |
|---|---|
| Name | 5-[2-(3,4-Dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-3-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.127325769 u |
| Formula | C12H16N4O2 |
| InChI | InChI=1S/C12H16N4O2/c1-17-9-5-3-8(7-10(9)18-2)4-6-11-14-12(13)16-15-11/h3,5,7H,4,6H2,1-2H3,(H3,13,14,15,16) |
| InChIKey | TUYGTXBQUUCAFY-UHFFFAOYSA-N |
| Molecular Weight | 248.286 g/mol |
| SMILES | C(CC1=NC(N)=NN1)C1=CC(=C(C=C1)OC)OC |