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4-(3-TERT.-BUTYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=T-BU)
SpectraBase Compound ID BvVQXkiITn
InChI InChI=1S/C31H27O.ClHO4/c1-31(2,3)28-21-27(25-17-11-6-12-18-26(25)28)24-19-29(22-13-7-4-8-14-22)32-30(20-24)23-15-9-5-10-16-23;2-1(3,4)5/h4-21H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKey GBQSCMJROHESDX-UHFFFAOYSA-M
Mol Weight 515.01 g/mol
Molecular Formula C31H27ClO5
Exact Mass 514.154702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3HuK20eYvm
Name 4-(3-TERT.-BUTYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=T-BU)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H27ClO5
InChI InChI=1S/C31H27O.ClHO4/c1-31(2,3)28-21-27(25-17-11-6-12-18-26(25)28)24-19-29(22-13-7-4-8-14-22)32-30(20-24)23-15-9-5-10-16-23;2-1(3,4)5/h4-21H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKey GBQSCMJROHESDX-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 515.005 g/mol
Sample ID 67577
Solvent ACETONE-D6