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3,5-dinitrobenzoic acid, tert-butyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

3,5-dinitrobenzoic acid, tert-butyl ester
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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7BGg02qHxyF
Name 3,5-DINITROBENZOIC ACID, tert-BUTYL ESTER
Source of Sample A. V. Camp, Eli Lilly & Company, Indianapolis, Indiana
Copyright Copyright © 1980, 1981-2024 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
Melting Point 142C
Molecular Weight 268.83
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, 3,5-DINITRO-, tert- BUTYL ESTER