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4-(3-METHOXYCARBONYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=CO2ME)
SpectraBase Compound ID OvWfGanoOp
InChI InChI=1S/C29H21O3.ClHO4/c1-31-29(30)26-19-25(23-15-9-4-10-16-24(23)26)22-17-27(20-11-5-2-6-12-20)32-28(18-22)21-13-7-3-8-14-21;2-1(3,4)5/h2-19H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey IGJGSNQNCNKNGW-UHFFFAOYSA-M
Mol Weight 516.93 g/mol
Molecular Formula C29H21ClO7
Exact Mass 516.097581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PLYoGoxorv
Name 4-(3-METHOXYCARBONYL-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=CO2ME)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H21ClO7
InChI InChI=1S/C29H21O3.ClHO4/c1-31-29(30)26-19-25(23-15-9-4-10-16-24(23)26)22-17-27(20-11-5-2-6-12-20)32-28(18-22)21-13-7-3-8-14-21;2-1(3,4)5/h2-19H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKey IGJGSNQNCNKNGW-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 516.935 g/mol
Sample ID 67579
Solvent ACETONE-D6