![4H-1,2,4-Triazole-4-amine, N-[(2-nitrophenyl)methylene]-](/api/spectrum/KTHQnE4tWca/structure.png?h=300&w=458 "4H-1,2,4-Triazole-4-amine, N-[(2-nitrophenyl)methylene]-")
| SpectraBase Compound ID | IeIBVDt9z75 |
|---|---|
| InChI | InChI=1S/C9H7N5O2/c15-14(16)9-4-2-1-3-8(9)5-12-13-6-10-11-7-13/h1-7H/b12-5+ |
| InChIKey | KUPRONFXIPRGPP-LFYBBSHMSA-N |
| Mol Weight | 217.19 g/mol |
| Molecular Formula | C9H7N5O2 |
| Exact Mass | 217.059974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTHQnE4tWca |
|---|---|
| Name | 4H-1,2,4-Triazole-4-amine, N-[(2-nitrophenyl)methylene]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.059974483 u |
| Formula | C9H7N5O2 |
| InChI | InChI=1S/C9H7N5O2/c15-14(16)9-4-2-1-3-8(9)5-12-13-6-10-11-7-13/h1-7H/b12-5+ |
| InChIKey | KUPRONFXIPRGPP-LFYBBSHMSA-N |
| SMILES | C1=CC=C(C(=C1)\C=N\N1C=NN=C1)N(=O)=O |