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3-BROMO-4-(4,6,8-TRIMETHYL-AZULENE-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=4',6',8'ME3;R=BR;X=H)
SpectraBase Compound ID B2GsK7Pev8Y
InChI InChI=1S/C30H24BrO.ClHO4/c1-19-16-20(2)24-14-15-25(28(24)21(3)17-19)26-18-27(22-10-6-4-7-11-22)32-30(29(26)31)23-12-8-5-9-13-23;2-1(3,4)5/h4-18H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKey XKPCLVWKFIXEOT-UHFFFAOYSA-M
Mol Weight 579.87 g/mol
Molecular Formula C30H24BrClO5
Exact Mass 578.049565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GX5bAwcGnIo
Name 3-BROMO-4-(4,6,8-TRIMETHYL-AZULENE-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=4',6',8'ME3;R=BR;X=H)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H24BrClO5
InChI InChI=1S/C30H24BrO.ClHO4/c1-19-16-20(2)24-14-15-25(28(24)21(3)17-19)26-18-27(22-10-6-4-7-11-22)32-30(29(26)31)23-12-8-5-9-13-23;2-1(3,4)5/h4-18H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKey XKPCLVWKFIXEOT-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 579.875 g/mol
Sample ID 67593
Solvent ACETONE-D6