| SpectraBase Compound ID | 3E21lPT3nB5 |
|---|---|
| InChI | InChI=1S/C14H11N3O5/c1-9-6-7-10(8-13(9)17(21)22)15-14(18)11-4-2-3-5-12(11)16(19)20/h2-8H,1H3,(H,15,18) |
| InChIKey | STPYMLINQWSKQR-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 | I7Y3cn9oOLU |
|---|---|
| Name | N-(4-Methyl-3-nitrophenyl)-2-nitrobenzamide |
| 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/c1-9-6-7-10(8-13(9)17(21)22)15-14(18)11-4-2-3-5-12(11)16(19)20/h2-8H,1H3,(H,15,18) |
| InChIKey | STPYMLINQWSKQR-UHFFFAOYSA-N |
| Molecular Weight | 301.258 g/mol |
| SMILES | CC1=CC=C(NC(=O)C2=CC=CC=C2N(=O)=O)C=C1N(=O)=O |