| SpectraBase Compound ID | 9TONB0DY5lW |
|---|---|
| InChI | InChI=1S/C15H13N3O5/c1-9-3-4-10(2)14(5-9)16-15(19)11-6-12(17(20)21)8-13(7-11)18(22)23/h3-8H,1-2H3,(H,16,19) |
| InChIKey | PJNWKWJELQOMOC-UHFFFAOYSA-N |
| Mol Weight | 315.29 g/mol |
| Molecular Formula | C15H13N3O5 |
| Exact Mass | 315.085521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | rlJEBEcqkm |
|---|---|
| Name | N-(2,5-Dimethyl-phenyl)-3,5-dinitro-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.085520526 u |
| Formula | C15H13N3O5 |
| InChI | InChI=1S/C15H13N3O5/c1-9-3-4-10(2)14(5-9)16-15(19)11-6-12(17(20)21)8-13(7-11)18(22)23/h3-8H,1-2H3,(H,16,19) |
| InChIKey | PJNWKWJELQOMOC-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(NC1=CC(C)=CC=C1C)=O |