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4-(2-TERT.-BUTYL-6-METHYL-AZULEN-1-YL)-2,6-DIPHENYL-3-METHYL-PYRANYLIUM-PERCHLORATE;(RN=2'-T-BU,6'ME;R=ME;X=H)
SpectraBase Compound ID 3LgxFOySAhx
InChI InChI=1S/C33H31O.ClHO4/c1-22-16-18-26-20-29(33(3,4)5)31(27(26)19-17-22)28-21-30(24-12-8-6-9-13-24)34-32(23(28)2)25-14-10-7-11-15-25;2-1(3,4)5/h6-21H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey FWPXOVXLRUYDRU-UHFFFAOYSA-M
Mol Weight 543.06 g/mol
Molecular Formula C33H31ClO5
Exact Mass 542.186002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dJ41zVuyHR
Name 4-(2-TERT.-BUTYL-6-METHYL-AZULEN-1-YL)-2,6-DIPHENYL-3-METHYL-PYRANYLIUM-PERCHLORATE;(RN=2'-T-BU,6'ME;R=ME;X=H)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H31ClO5
InChI InChI=1S/C33H31O.ClHO4/c1-22-16-18-26-20-29(33(3,4)5)31(27(26)19-17-22)28-21-30(24-12-8-6-9-13-24)34-32(23(28)2)25-14-10-7-11-15-25;2-1(3,4)5/h6-21H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey FWPXOVXLRUYDRU-UHFFFAOYSA-M
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 543.059 g/mol
Sample ID 67585
Solvent ACETONE-D6