![1-[2'-Nitro-4'-(p-chlorophenyl)]-4-carboxamido-5-amino-1H-1,2,3-triazole](/api/spectrum/D3tRCgZI3vt/structure.png?h=300&w=458 "1-[2'-Nitro-4'-(p-chlorophenyl)]-4-carboxamido-5-amino-1H-1,2,3-triazole")
| SpectraBase Compound ID | DF2QDqY82IP |
|---|---|
| InChI | InChI=1S/C9H7ClN6O3/c10-4-1-2-5(6(3-4)16(18)19)15-8(11)7(9(12)17)13-14-15/h1-3H,11H2,(H2,12,17) |
| InChIKey | JTXIZVVBPDGSSZ-UHFFFAOYSA-N |
| Mol Weight | 282.65 g/mol |
| Molecular Formula | C9H7ClN6O3 |
| Exact Mass | 282.026816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3tRCgZI3vt |
|---|---|
| Name | 1-[2'-Nitro-4'-(p-chlorophenyl)]-4-carboxamido-5-amino-1H-1,2,3-triazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.026815806 u |
| Formula | C9H7ClN6O3 |
| InChI | InChI=1S/C9H7ClN6O3/c10-4-1-2-5(6(3-4)16(18)19)15-8(11)7(9(12)17)13-14-15/h1-3H,11H2,(H2,12,17) |
| InChIKey | JTXIZVVBPDGSSZ-UHFFFAOYSA-N |
| Molecular Weight | 282.647 g/mol |
| SMILES | C=1(N(N=NC1C(=O)N)C1=C(N(=O)=O)C=C(C=C1)Cl)N |