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4-(3,8-DIMETHYL-5-ISOPROPYL-AZULENE-1-YL)-2,6-DIPHENYL-3-METHYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'-ME2;R=ME;X=H)
SpectraBase Compound ID BaTg13lvj36
InChI InChI=1S/C33H31O.ClHO4/c1-21(2)27-17-16-22(3)32-28(19-27)23(4)18-30(32)29-20-31(25-12-8-6-9-13-25)34-33(24(29)5)26-14-10-7-11-15-26;2-1(3,4)5/h6-21H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey JRXISYVGOQWDIM-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 ByHe5D4FVmD
Name 4-(3,8-DIMETHYL-5-ISOPROPYL-AZULENE-1-YL)-2,6-DIPHENYL-3-METHYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'-ME2;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/c1-21(2)27-17-16-22(3)32-28(19-27)23(4)18-30(32)29-20-31(25-12-8-6-9-13-25)34-33(24(29)5)26-14-10-7-11-15-26;2-1(3,4)5/h6-21H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey JRXISYVGOQWDIM-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 67586
Solvent ACETONE-D6