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4-(4,6,8-TRIMETHYL-AZULEN-1-YL)-2,6-DIPHENYL-3-METHYL-PYRANYLIUM-PERCHLORATE;(RN=4',6',8'ME3;R=ME;X=H)
SpectraBase Compound ID IXtk5y1Be1N
InChI InChI=1S/2C31H27O.2ClHO4/c2*1-20-17-21(2)26-15-16-27(30(26)22(3)18-20)28-19-29(24-11-7-5-8-12-24)32-31(23(28)4)25-13-9-6-10-14-25;2*2-1(3,4)5/h2*5-19H,1-4H3;2*(H,2,3,4,5)/q2*+1;;/p-2
InChIKey AINQAAKENFFPLZ-UHFFFAOYSA-L
Mol Weight 1030.01 g/mol
Molecular Formula C62H54Cl2O10
Exact Mass 1028.309403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6v3fmzHObhg
Name 4-(4,6,8-TRIMETHYL-AZULEN-1-YL)-2,6-DIPHENYL-3-METHYL-PYRANYLIUM-PERCHLORATE;(RN=4',6',8'ME3;R=ME;X=H)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H54Cl2O10
InChI InChI=1S/2C31H27O.2ClHO4/c2*1-20-17-21(2)26-15-16-27(30(26)22(3)18-20)28-19-29(24-11-7-5-8-12-24)32-31(23(28)4)25-13-9-6-10-14-25;2*2-1(3,4)5/h2*5-19H,1-4H3;2*(H,2,3,4,5)/q2*+1;;/p-2
InChIKey AINQAAKENFFPLZ-UHFFFAOYSA-L
Literature Reference Author A.C.RAZUS,L.BIRZAN,C.PAVEL,O.LEHADUS,A.C.CORBU,C.ENACHE
Literature Reference Citation J.HETCYCL.CHEM.,43,963(2006)
Literature Reference DOI 10.1002/jhet.5570430423
Molecular Weight 1030.011 g/mol
Sample ID 67584
Solvent ACETONE-D6