| SpectraBase Compound ID | mkTWhPnb6v |
|---|---|
| InChI | InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3 |
| InChIKey | POGCCFLNFPIIGW-UHFFFAOYSA-N |
| Mol Weight | 226.14 g/mol |
| Molecular Formula | C8H6N2O6 |
| Exact Mass | 226.022586 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vZv3NSKO8 |
|---|---|
| Name | 3,5-dinitrobenzoic acid, methyl ester |
| Source of Sample | A. Van Camp, Eli Lilly & Company, Indianapolis, Indiana |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6N2O6 |
| InChI | InChI=1S/C8H6N2O6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4H,1H3 |
| InChIKey | POGCCFLNFPIIGW-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 6425M |
| Solvent | CDCl3 |
| Synonyms | BENZOIC ACID, 3,5-DINITRO-, METHYL ESTER |