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4-(4,6,8-TRIMETHYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=4',6',8'ME3;R=X=H)
SpectraBase Compound ID GXMRWgB4ayo
InChI InChI=1S/C30H25O.ClHO4/c1-20-16-21(2)26-14-15-27(30(26)22(3)17-20)25-18-28(23-10-6-4-7-11-23)31-29(19-25)24-12-8-5-9-13-24;2-1(3,4)5/h4-19H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKey KIMZJXIOAJBGPY-UHFFFAOYSA-M
Mol Weight 500.98 g/mol
Molecular Formula C30H25ClO5
Exact Mass 500.139052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xaNaVn2wYn
Name 4-(4,6,8-TRIMETHYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=4',6',8'ME3;R=X=H)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H25ClO5
InChI InChI=1S/C30H25O.ClHO4/c1-20-16-21(2)26-14-15-27(30(26)22(3)17-20)25-18-28(23-10-6-4-7-11-23)31-29(19-25)24-12-8-5-9-13-24;2-1(3,4)5/h4-19H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKey KIMZJXIOAJBGPY-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 500.979 g/mol
Sample ID 67574
Solvent ACETONE-D6