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4-(AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=X=H)
SpectraBase Compound ID 4Vt5On4Dt1F
InChI InChI=1S/C27H19O.ClHO4/c1-5-11-21(12-6-1)26-18-23(19-27(28-26)22-13-7-2-8-14-22)25-17-16-20-10-4-3-9-15-24(20)25;2-1(3,4)5/h1-19H;(H,2,3,4,5)/q+1;/p-1
InChIKey ISDWFDSIHGHARM-UHFFFAOYSA-M
Mol Weight 458.9 g/mol
Molecular Formula C27H19ClO5
Exact Mass 458.092101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C76qGnnu22W
Name 4-(AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=X=H)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H19ClO5
InChI InChI=1S/C27H19O.ClHO4/c1-5-11-21(12-6-1)26-18-23(19-27(28-26)22-13-7-2-8-14-22)25-17-16-20-10-4-3-9-15-24(20)25;2-1(3,4)5/h1-19H;(H,2,3,4,5)/q+1;/p-1
InChIKey ISDWFDSIHGHARM-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 458.898 g/mol
Sample ID 67570
Solvent ACETONE-D6