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N-ethylcarbamic acid [4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-7-yl] ester
SpectraBase Compound ID A6q7XfhUrSl
InChI InChI=1S/C13H15N3O7/c1-2-14-13(18)23-9-3-4-10-11(7-9)21-8-15(12(10)17)5-6-22-16(19)20/h3-4,7H,2,5-6,8H2,1H3,(H,14,18)
InChIKey JPBDBBGHCPVUIT-UHFFFAOYSA-N
Mol Weight 325.28 g/mol
Molecular Formula C13H15N3O7
Exact Mass 325.091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CeI3aNC8bZd
Name N-ethylcarbamic acid [4-keto-3-(2-nitrooxyethyl)-2H-1,3-benzoxazin-7-yl] ester
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H15N3O7
InChI InChI=1S/C13H15N3O7/c1-2-14-13(18)23-9-3-4-10-11(7-9)21-8-15(12(10)17)5-6-22-16(19)20/h3-4,7H,2,5-6,8H2,1H3,(H,14,18)
InChIKey JPBDBBGHCPVUIT-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 325.278 g/mol
Solvent DMSO-D6
Source File Reference UWCP3815