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4-(3-METHYL-AZULENE-1-YL)-2,3,6-TRIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=H;R=PH;X=ME)
SpectraBase Compound ID Dak93uxq42g
InChI InChI=1S/C34H25O.ClHO4/c1-24-22-30(29-21-13-5-12-20-28(24)29)31-23-32(25-14-6-2-7-15-25)35-34(27-18-10-4-11-19-27)33(31)26-16-8-3-9-17-26;2-1(3,4)5/h2-23H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey VHMKTVPXDPXKPT-UHFFFAOYSA-M
Mol Weight 549.02 g/mol
Molecular Formula C34H25ClO5
Exact Mass 548.139052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2XDwhjdsBQ
Name 4-(3-METHYL-AZULENE-1-YL)-2,3,6-TRIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=H;R=PH;X=ME)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H25ClO5
InChI InChI=1S/C34H25O.ClHO4/c1-24-22-30(29-21-13-5-12-20-28(24)29)31-23-32(25-14-6-2-7-15-25)35-34(27-18-10-4-11-19-27)33(31)26-16-8-3-9-17-26;2-1(3,4)5/h2-23H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey VHMKTVPXDPXKPT-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 549.023 g/mol
Sample ID 67588
Solvent ACETONE-D6