| SpectraBase Compound ID | 8bgaYAoLIBR |
|---|---|
| InChI | InChI=1S/C14H11N3O5/c1-15(11-6-8-13(9-7-11)17(21)22)14(18)10-2-4-12(5-3-10)16(19)20/h2-9H,1H3 |
| InChIKey | PDODYIVPNIJZLR-UHFFFAOYSA-N |
| Mol Weight | 301.26 g/mol |
| Molecular Formula | C14H11N3O5 |
| Exact Mass | 301.06987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gIjT669yGG |
|---|---|
| Name | Benzamide, N-methyl-4-nitro-N-(4-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.069870461 u |
| Formula | C14H11N3O5 |
| InChI | InChI=1S/C14H11N3O5/c1-15(11-6-8-13(9-7-11)17(21)22)14(18)10-2-4-12(5-3-10)16(19)20/h2-9H,1H3 |
| InChIKey | PDODYIVPNIJZLR-UHFFFAOYSA-N |
| Molecular Weight | 301.258 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(N(C(C=2C=CC(N(=O)=O)=CC2)=O)C)C=C1 |