![N-[(E)-9-anthrylmethylidene]-4H-1,2,4-triazol-4-amine](/api/spectrum/D6r8AAgXp4a/structure.png?h=300&w=458 "N-[(E)-9-anthrylmethylidene]-4H-1,2,4-triazol-4-amine")
| SpectraBase Compound ID | G9z6c1iOZ6f |
|---|---|
| InChI | InChI=1S/C17H12N4/c1-3-7-15-13(5-1)9-14-6-2-4-8-16(14)17(15)10-20-21-11-18-19-12-21/h1-12H/b20-10+ |
| InChIKey | WXKBXFUOPLYHAO-KEBDBYFISA-N |
| Mol Weight | 272.31 g/mol |
| Molecular Formula | C17H12N4 |
| Exact Mass | 272.106196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D6r8AAgXp4a |
|---|---|
| Name | N-[(E)-9-Anthrylmethylidene]-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 | 272.106196402 u |
| Formula | C17H12N4 |
| InChI | InChI=1S/C17H12N4/c1-3-7-15-13(5-1)9-14-6-2-4-8-16(14)17(15)10-20-21-11-18-19-12-21/h1-12H/b20-10+ |
| InChIKey | WXKBXFUOPLYHAO-KEBDBYFISA-N |
| SMILES | C=1C=CC2=C(\C=N\N3C=NN=C3)C=3C(C=C2C1)=CC=CC3 |