| SpectraBase Compound ID | 7zhmlDG53Q |
|---|---|
| InChI | InChI=1S/C14H12N4/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,15H2,(H,16,17,18) |
| InChIKey | AEALBFAUDNCOAC-UHFFFAOYSA-N |
| Mol Weight | 236.28 g/mol |
| Molecular Formula | C14H12N4 |
| Exact Mass | 236.106196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFSeWAyT01Q |
|---|---|
| Name | 4-(5-Phenyl-4H-1,2,4-triazol-3-yl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.106196402 u |
| Formula | C14H12N4 |
| InChI | InChI=1S/C14H12N4/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,15H2,(H,16,17,18) |
| InChIKey | AEALBFAUDNCOAC-UHFFFAOYSA-N |
| Molecular Weight | 236.278 g/mol |
| SMILES | C=1(NC(=NN1)C1=CC=CC=C1)C1=CC=C(C=C1)N |