![4-[5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl]aniline](/api/spectrum/JmsOJQjSqMp/structure.png?h=300&w=458 "4-[5-(3-Chlorophenyl)-1H-1,2,4-triazol-3-yl]aniline")
| SpectraBase Compound ID | HotoEC6nwpI |
|---|---|
| InChI | InChI=1S/C14H11ClN4/c15-11-3-1-2-10(8-11)14-17-13(18-19-14)9-4-6-12(16)7-5-9/h1-8H,16H2,(H,17,18,19) |
| InChIKey | XEBZXEAUPFCBBX-UHFFFAOYSA-N |
| Mol Weight | 270.72 g/mol |
| Molecular Formula | C14H11ClN4 |
| Exact Mass | 270.067224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmsOJQjSqMp |
|---|---|
| Name | 4-[5-(3-Chlorophenyl)-1H-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 | 270.067224070 u |
| Formula | C14H11ClN4 |
| InChI | InChI=1S/C14H11ClN4/c15-11-3-1-2-10(8-11)14-17-13(18-19-14)9-4-6-12(16)7-5-9/h1-8H,16H2,(H,17,18,19) |
| InChIKey | XEBZXEAUPFCBBX-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC(C2=NC(C3=CC=C(C=C3)N)=NN2)=C1)Cl |