| SpectraBase Compound ID | 8vPOKuVjfWQ |
|---|---|
| InChI | InChI=1S/C13H16N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-6H2,1H3 |
| InChIKey | KZVBOYCZXPUDGJ-UHFFFAOYSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C13H16N2O6 |
| Exact Mass | 296.100836 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbTcVjhRV3T |
|---|---|
| Name | 3,5-dinitrobenzoic acid, hexyl ester |
| Source of Sample | A. V. Camp, Eli Lilly & Company, Indianapolis, Indiana |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16N2O6 |
| InChI | InChI=1S/C13H16N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h7-9H,2-6H2,1H3 |
| InChIKey | KZVBOYCZXPUDGJ-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 6432M |
| Solvent | CDCl3 |
| Synonyms | BENZOIC ACID, 3,5-DINITRO-, HEXYL ESTER |