John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IV32CJogENH SpectraBase Spectrum ID=1KUFhgcWLeF

(accessed ).
2-methylpropionic acid [4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-7-yl] ester
SpectraBase Compound ID IV32CJogENH
InChI InChI=1S/C14H16N2O7/c1-9(2)14(18)23-10-3-4-11-12(7-10)21-8-15(13(11)17)5-6-22-16(19)20/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey JXJLSZJFZAUXDT-UHFFFAOYSA-N
Mol Weight 324.29 g/mol
Molecular Formula C14H16N2O7
Exact Mass 324.095751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KUFhgcWLeF
Name 2-methylpropionic acid [4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-7-yl] ester
Compound Number 17
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Formula C14H16N2O7
InChI InChI=1S/C14H16N2O7/c1-9(2)14(18)23-10-3-4-11-12(7-10)21-8-15(13(11)17)5-6-22-16(19)20/h3-4,7,9H,5-6,8H2,1-2H3
InChIKey JXJLSZJFZAUXDT-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 324.290 g/mol
Solvent DMSO-D6
Source File Reference UWCP3811
SpectraBase Batch ID 9bDoavfjhik