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QEGWUHCPXZSEEG-WCERFJSTSA-N

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QEGWUHCPXZSEEG-WCERFJSTSA-N
SpectraBase Compound ID 72QgPAlrvB0
InChI InChI=1S/C27H31N.5CO.Cr/c1-4-12-23(13-5-1)14-6-3-9-17-25-21-28(20-24-15-7-2-8-16-24)22-26-18-10-11-19-27(25)26;5*1-2;/h1-2,4-5,7-8,12-13,15-16,25-27H,3,9-11,17-20,22H2;;;;;;/t25?,26-,27+;;;;;;/m1....../s1
InChIKey QEGWUHCPXZSEEG-WCERFJSTSA-N
Mol Weight 561.6 g/mol
Molecular Formula C32H31CrNO5
Exact Mass 561.160728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvIUs250MC6
Name QEGWUHCPXZSEEG-WCERFJSTSA-N
Compound Number 53
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H31CrNO5
InChI InChI=1S/C27H31N.5CO.Cr/c1-4-12-23(13-5-1)14-6-3-9-17-25-21-28(20-24-15-7-2-8-16-24)22-26-18-10-11-19-27(25)26;5*1-2;/h1-2,4-5,7-8,12-13,15-16,25-27H,3,9-11,17-20,22H2;;;;;;/t25?,26-,27+;;;;;;/m1....../s1
InChIKey QEGWUHCPXZSEEG-WCERFJSTSA-N
Literature Reference Author C.BOUAUCHEAU,A.PARLIER,H.RUDLER
Literature Reference Citation J.ORG.CHEM.,62,7247(1997)
Literature Reference DOI 10.1021/jo970720x
Molecular Weight 561.598 g/mol
Solvent CDCl3
Source File Reference UWSP10169