| SpectraBase Compound ID | IYnS1ylnPsN |
|---|---|
| InChI | InChI=1S/C19H12N2O6/c22-19(15-10-16(20(23)24)12-17(11-15)21(25)26)27-18-8-6-14(7-9-18)13-4-2-1-3-5-13/h1-12H |
| InChIKey | XETLONOKCAMDQB-UHFFFAOYSA-N |
| Mol Weight | 364.31 g/mol |
| Molecular Formula | C19H12N2O6 |
| Exact Mass | 364.069536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lc74qZBeEZO |
|---|---|
| Name | 3,5-Dinitro-benzoic acid biphenyl-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.069536108 u |
| Formula | C19H12N2O6 |
| InChI | InChI=1S/C19H12N2O6/c22-19(15-10-16(20(23)24)12-17(11-15)21(25)26)27-18-8-6-14(7-9-18)13-4-2-1-3-5-13/h1-12H |
| InChIKey | XETLONOKCAMDQB-UHFFFAOYSA-N |
| Molecular Weight | 364.313 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(OC1=CC=C(C2=CC=CC=C2)C=C1)=O |