![N-[(E)-(3,4-dimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine](/api/spectrum/FpBV1IyZAoM/structure.png?h=300&w=458 "N-[(E)-(3,4-dimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine")
| SpectraBase Compound ID | K3DOIKpsukQ |
|---|---|
| InChI | InChI=1S/C11H12N4O2/c1-16-10-4-3-9(5-11(10)17-2)6-14-15-7-12-13-8-15/h3-8H,1-2H3/b14-6+ |
| InChIKey | DKPICALCFHAXGE-MKMNVTDBSA-N |
| Mol Weight | 232.24 g/mol |
| Molecular Formula | C11H12N4O2 |
| Exact Mass | 232.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpBV1IyZAoM |
|---|---|
| Name | N-[(E)-(3,4-Dimethoxyphenyl)methylidene]-4H-1,2,4-triazol-4-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.096025640 u |
| Formula | C11H12N4O2 |
| InChI | InChI=1S/C11H12N4O2/c1-16-10-4-3-9(5-11(10)17-2)6-14-15-7-12-13-8-15/h3-8H,1-2H3/b14-6+ |
| InChIKey | DKPICALCFHAXGE-MKMNVTDBSA-N |
| Molecular Weight | 232.243 g/mol |
| SMILES | COC1=CC=C(C=C1OC)\C=N\N1C=NN=C1 |