| SpectraBase Compound ID | KV6tmQfF5Vb |
|---|---|
| InChI | InChI=1S/C11H12N2O6/c1-11(2,3)19-10(14)7-4-8(12(15)16)6-9(5-7)13(17)18/h4-6H,1-3H3 |
| InChIKey | JETCTPYQTQUQPA-UHFFFAOYSA-N |
| Mol Weight | 268.22 g/mol |
| Molecular Formula | C11H12N2O6 |
| Exact Mass | 268.069536 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 396ZoHDMmm8 |
|---|---|
| Name | 3,5-dinitrobenzoic acid, tert-butyl ester |
| Source of Sample | A. Van Camp, Eli Lilly & Company, Indianapolis, Indiana |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12N2O6 |
| InChI | InChI=1S/C11H12N2O6/c1-11(2,3)19-10(14)7-4-8(12(15)16)6-9(5-7)13(17)18/h4-6H,1-3H3 |
| InChIKey | JETCTPYQTQUQPA-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 6433M |
| Solvent | CDCl3 |
| Synonyms | BENZOIC ACID, 3,5-DINITRO-, TERT- BUTYL ESTER |