![1-N-[5-(3-Chlorophenyl)-2H-1,2,4-triazol-3-yl]benzene-1,4-diamine](/api/spectrum/LmYu0RkWJ2g/structure.png?h=300&w=458 "1-N-[5-(3-Chlorophenyl)-2H-1,2,4-triazol-3-yl]benzene-1,4-diamine")
| SpectraBase Compound ID | 2NxihET8SBw |
|---|---|
| InChI | InChI=1S/C14H12ClN5/c15-10-3-1-2-9(8-10)13-18-14(20-19-13)17-12-6-4-11(16)5-7-12/h1-8H,16H2,(H2,17,18,19,20) |
| InChIKey | IXUNNSJZQGSPLY-UHFFFAOYSA-N |
| Mol Weight | 285.74 g/mol |
| Molecular Formula | C14H12ClN5 |
| Exact Mass | 285.078123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmYu0RkWJ2g |
|---|---|
| Name | 1-N-[5-(3-Chlorophenyl)-2H-1,2,4-triazol-3-yl]benzene-1,4-diamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.078123106 u |
| Formula | C14H12ClN5 |
| InChI | InChI=1S/C14H12ClN5/c15-10-3-1-2-9(8-10)13-18-14(20-19-13)17-12-6-4-11(16)5-7-12/h1-8H,16H2,(H2,17,18,19,20) |
| InChIKey | IXUNNSJZQGSPLY-UHFFFAOYSA-N |
| SMILES | C1(=NC(C2=CC=CC(=C2)Cl)=NN1)NC1=CC=C(C=C1)N |