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4-(3,8-DIMETHYL-5-ISOPROPYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'ME2;R=X=H)
SpectraBase Compound ID DpFhEtMhVCo
InChI InChI=1S/C32H29O.ClHO4/c1-21(2)26-16-15-22(3)32-28(18-26)23(4)17-29(32)27-19-30(24-11-7-5-8-12-24)33-31(20-27)25-13-9-6-10-14-25;2-1(3,4)5/h5-21H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey POPCYYCBDLRWQQ-UHFFFAOYSA-M
Mol Weight 529.0 g/mol
Molecular Formula C32H29ClO5
Exact Mass 528.170352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25GIgsnu0Nc
Name 4-(3,8-DIMETHYL-5-ISOPROPYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'ME2;R=X=H)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H29ClO5
InChI InChI=1S/C32H29O.ClHO4/c1-21(2)26-16-15-22(3)32-28(18-26)23(4)17-29(32)27-19-30(24-11-7-5-8-12-24)33-31(20-27)25-13-9-6-10-14-25;2-1(3,4)5/h5-21H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey POPCYYCBDLRWQQ-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 529.032 g/mol
Sample ID 67576
Solvent ACETONE-D6