![4H-1,2,4-triazol-4-amine, N-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-](/api/spectrum/1hx1N48uBGL/structure.png?h=300&w=458 "4H-1,2,4-triazol-4-amine, N-[(E)-(2,4,5-trimethoxyphenyl)methylidene]-")
| SpectraBase Compound ID | 5V6Dl8yxcWl |
|---|---|
| InChI | InChI=1S/C12H14N4O3/c1-17-10-5-12(19-3)11(18-2)4-9(10)6-15-16-7-13-14-8-16/h4-8H,1-3H3/b15-6+ |
| InChIKey | USUHTMFTTIKVAL-GIDUJCDVSA-N |
| Mol Weight | 262.27 g/mol |
| Molecular Formula | C12H14N4O3 |
| Exact Mass | 262.10659 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hx1N48uBGL |
|---|---|
| Name | 4H-1,2,4-Triazol-4-amine, N-[(E)-(2,4,5-trimethoxyphenyl)methylidene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.106590324 u |
| Formula | C12H14N4O3 |
| InChI | InChI=1S/C12H14N4O3/c1-17-10-5-12(19-3)11(18-2)4-9(10)6-15-16-7-13-14-8-16/h4-8H,1-3H3/b15-6+ |
| InChIKey | USUHTMFTTIKVAL-GIDUJCDVSA-N |
| Molecular Weight | 262.269 g/mol |
| SMILES | COC=1C=C(C(=CC1OC)OC)\C=N\N1C=NN=C1 |