![2-[5-(3-Nitrophenyl)-1H-1,2,4-triazol-3-yl]aniline](/api/spectrum/9hvVpL3XJrf/structure.png?h=300&w=458 "2-[5-(3-Nitrophenyl)-1H-1,2,4-triazol-3-yl]aniline")
| SpectraBase Compound ID | 5nHq1r6Zega |
|---|---|
| InChI | InChI=1S/C14H11N5O2/c15-12-7-2-1-6-11(12)14-16-13(17-18-14)9-4-3-5-10(8-9)19(20)21/h1-8H,15H2,(H,16,17,18) |
| InChIKey | XBRYIZBHUUIRCL-UHFFFAOYSA-N |
| Mol Weight | 281.28 g/mol |
| Molecular Formula | C14H11N5O2 |
| Exact Mass | 281.091275 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hvVpL3XJrf |
|---|---|
| Name | 2-[5-(3-Nitrophenyl)-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 | 281.091274612 u |
| Formula | C14H11N5O2 |
| InChI | InChI=1S/C14H11N5O2/c15-12-7-2-1-6-11(12)14-16-13(17-18-14)9-4-3-5-10(8-9)19(20)21/h1-8H,15H2,(H,16,17,18) |
| InChIKey | XBRYIZBHUUIRCL-UHFFFAOYSA-N |
| Molecular Weight | 281.275 g/mol |
| SMILES | C1=CC=CC(=C1N)C1=NNC(=N1)C=1C=C(C=CC1)N(=O)=O |