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4-(3-BROMO-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=BR)
SpectraBase Compound ID AzvkhtGefZ8
InChI InChI=1S/C27H18BrO.ClHO4/c28-25-18-24(22-14-8-3-9-15-23(22)25)21-16-26(19-10-4-1-5-11-19)29-27(17-21)20-12-6-2-7-13-20;2-1(3,4)5/h1-18H;(H,2,3,4,5)/q+1;/p-1
InChIKey AWCNRKHOAVWDMW-UHFFFAOYSA-M
Mol Weight 537.79 g/mol
Molecular Formula C27H18BrClO5
Exact Mass 536.002614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElP3vYOg2sR
Name 4-(3-BROMO-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=BR)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H18BrClO5
InChI InChI=1S/C27H18BrO.ClHO4/c28-25-18-24(22-14-8-3-9-15-23(22)25)21-16-26(19-10-4-1-5-11-19)29-27(17-21)20-12-6-2-7-13-20;2-1(3,4)5/h1-18H;(H,2,3,4,5)/q+1;/p-1
InChIKey AWCNRKHOAVWDMW-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 537.794 g/mol
Sample ID 67581
Solvent ACETONE-D6