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CYCLOMYLTAYLAN-5-ALPHA-YL-3,5-DINITROBENZOATE

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CYCLOMYLTAYLAN-5-ALPHA-YL-3,5-DINITROBENZOATE
SpectraBase Compound ID ExtOLJ0VlNP
InChI InChI=1S/C22H26N2O6/c1-19(2)6-5-7-20(3)16-15-11-22(19,20)18(21(15,16)4)30-17(25)12-8-13(23(26)27)10-14(9-12)24(28)29/h8-10,15-16,18H,5-7,11H2,1-4H3/t15?,16-,18+,20-,21?,22-/m1/s1
InChIKey LXTVULTWYMZCNV-PZWLABSKSA-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 GMsFYrf2LnP
Name CYCLOMYLTAYLAN-5-ALPHA-YL-3,5-DINITROBENZOATE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-19(2)6-5-7-20(3)16-15-11-22(19,20)18(21(15,16)4)30-17(25)12-8-13(23(26)27)10-14(9-12)24(28)29/h8-10,15-16,18H,5-7,11H2,1-4H3/t15?,16-,18+,20-,21?,22-/m1/s1
InChIKey LXTVULTWYMZCNV-PZWLABSKSA-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 37208
Solvent CDCl3