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ENT-BETA-CHAMIGRENE-1-ALPHA-YL-3,5-DINITROBENZOATE
SpectraBase Compound ID KUuK4vRhOKo
InChI InChI=1S/C22H26N2O6/c1-14-7-9-22(15(2)6-5-8-21(22,3)4)19(10-14)30-20(25)16-11-17(23(26)27)13-18(12-16)24(28)29/h7,11-13,19H,2,5-6,8-10H2,1,3-4H3/t19-,22-/m0/s1
InChIKey VLMLNQNYRNHPTQ-UGKGYDQZSA-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 2n2AvbBZhBa
Name ENT-BETA-CHAMIGRENE-1-ALPHA-YL-3,5-DINITROBENZOATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-14-7-9-22(15(2)6-5-8-21(22,3)4)19(10-14)30-20(25)16-11-17(23(26)27)13-18(12-16)24(28)29/h7,11-13,19H,2,5-6,8-10H2,1,3-4H3/t19-,22-/m0/s1
InChIKey VLMLNQNYRNHPTQ-UGKGYDQZSA-N
Literature Reference Author M.FURUSAWA,T.HASHIMOTO,Y.NOMA,Y.ASAKAWA
Literature Reference Citation CHEM.PHARM.BULL.,54,996(2006)
Literature Reference DOI 10.1248/cpb.54.996
Molecular Weight 414.458 g/mol
Sample ID 37209
Solvent CDCl3