| SpectraBase Compound ID | 3qIj2Y0VFkw |
|---|---|
| InChI | InChI=1S/C15H12N2O6/c1-2-23-15(18)11-5-3-10(4-6-11)13-8-7-12(16(19)20)9-14(13)17(21)22/h3-9H,2H2,1H3 |
| InChIKey | NGVLLBVKVKOCON-UHFFFAOYSA-N |
| Mol Weight | 316.27 g/mol |
| Molecular Formula | C15H12N2O6 |
| Exact Mass | 316.069536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvI91LfDLvo |
|---|---|
| Name | 4-(2,4-Dinitrophenyl)benzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.069536108 u |
| Formula | C15H12N2O6 |
| InChI | InChI=1S/C15H12N2O6/c1-2-23-15(18)11-5-3-10(4-6-11)13-8-7-12(16(19)20)9-14(13)17(21)22/h3-9H,2H2,1H3 |
| InChIKey | NGVLLBVKVKOCON-UHFFFAOYSA-N |
| Molecular Weight | 316.269 g/mol |
| SMILES | C=1(C=CC(=CC1)C(=O)OCC)C=1C(=CC(=CC1)N(=O)=O)N(=O)=O |