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3-BROMO-4-(3,8-DIMETHYL-5-ISOPROPYL-AZULENE-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'ME2;R=BR;X=H)
SpectraBase Compound ID FNpo22LgioL
InChI InChI=1S/C32H28BrO.ClHO4/c1-20(2)25-16-15-21(3)30-26(18-25)22(4)17-27(30)28-19-29(23-11-7-5-8-12-23)34-32(31(28)33)24-13-9-6-10-14-24;2-1(3,4)5/h5-20H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey PXBPDPZTBXZBLE-UHFFFAOYSA-M
Mol Weight 607.93 g/mol
Molecular Formula C32H28BrClO5
Exact Mass 606.080865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1MrwU2rxnna
Name 3-BROMO-4-(3,8-DIMETHYL-5-ISOPROPYL-AZULENE-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'ME2;R=BR;X=H)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H28BrClO5
InChI InChI=1S/C32H28BrO.ClHO4/c1-20(2)25-16-15-21(3)30-26(18-25)22(4)17-27(30)28-19-29(23-11-7-5-8-12-23)34-32(31(28)33)24-13-9-6-10-14-24;2-1(3,4)5/h5-20H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey PXBPDPZTBXZBLE-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 607.928 g/mol
Sample ID 67594
Solvent ACETONE-D6