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carbonic acid isobutyl [4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-7-yl] ester
SpectraBase Compound ID GRo8YQYlYvJ
InChI InChI=1S/C15H18N2O8/c1-10(2)8-22-15(19)25-11-3-4-12-13(7-11)23-9-16(14(12)18)5-6-24-17(20)21/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKey MEXANABUPWFAFP-UHFFFAOYSA-N
Mol Weight 354.32 g/mol
Molecular Formula C15H18N2O8
Exact Mass 354.106316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WlltZDx72m
Name carbonic acid isobutyl [4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-7-yl] ester
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18N2O8
InChI InChI=1S/C15H18N2O8/c1-10(2)8-22-15(19)25-11-3-4-12-13(7-11)23-9-16(14(12)18)5-6-24-17(20)21/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKey MEXANABUPWFAFP-UHFFFAOYSA-N
Literature Reference Author G.BERTOLINI,S.CONTI,F.FERRARIO,A.SALA
Literature Reference Citation MAGN.RES.CHEM.,32,554(1994)
Literature Reference DOI 10.1002/mrc.1260320912
Molecular Weight 354.317 g/mol
Solvent DMSO-D6
Source File Reference UWCP3812