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MODHEPHENE-14-(3,5-DINITROBENZOATE)

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MODHEPHENE-14-(3,5-DINITROBENZOATE)
SpectraBase Compound ID FImsBe1KS3I
InChI InChI=1S/C22H26N2O6/c1-14-5-8-21-6-4-7-22(14,21)15(2)12-20(21,3)13-30-19(25)16-9-17(23(26)27)11-18(10-16)24(28)29/h9-12,14H,4-8,13H2,1-3H3/t14-,20-,21+,22-/m1/s1
InChIKey NLPHMVBZRGHVGY-XKRTTZHXSA-N
Mol Weight 414.46 g/mol
Molecular Formula C22H26N2O6
Exact Mass 414.179087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7tbPBA63bjI
Name MODHEPHENE-14-(3,5-DINITROBENZOATE)
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-14-5-8-21-6-4-7-22(14,21)15(2)12-20(21,3)13-30-19(25)16-9-17(23(26)27)11-18(10-16)24(28)29/h9-12,14H,4-8,13H2,1-3H3/t14-,20-,21+,22-/m1/s1
InChIKey NLPHMVBZRGHVGY-XKRTTZHXSA-N
Literature Reference Author B.REYES-TREJO,P.JOSEPH-NATHAN
Literature Reference Citation PHYTOCHEM.,51,75(1999)
Literature Reference DOI 10.1016/S0031-9422(98)00634-7
Molecular Weight 414.458 g/mol
Solvent CDCl3
Source File Reference UWUC85