| SpectraBase Compound ID | 5oOM9nrgwoH |
|---|---|
| InChI | InChI=1S/C13H9N3O5/c17-13(9-1-5-11(6-2-9)15(18)19)14-10-3-7-12(8-4-10)16(20)21/h1-8H,(H,14,17) |
| InChIKey | NOMOTPVSNBNBSG-UHFFFAOYSA-N |
| Mol Weight | 287.23 g/mol |
| Molecular Formula | C13H9N3O5 |
| Exact Mass | 287.05422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLgpW80l8Zg |
|---|---|
| Name | Benzamide, 4-nitro-N-(4-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.054220397 u |
| Formula | C13H9N3O5 |
| InChI | InChI=1S/C13H9N3O5/c17-13(9-1-5-11(6-2-9)15(18)19)14-10-3-7-12(8-4-10)16(20)21/h1-8H,(H,14,17) |
| InChIKey | NOMOTPVSNBNBSG-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C=C1)N(=O)=O)(=O)NC1=CC=C(C=C1)N(=O)=O |