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4-(3-NITRO-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=NO2)
SpectraBase Compound ID 63TM7ansaB
InChI InChI=1S/C27H18NO3.ClHO4/c29-28(30)25-18-24(22-14-8-3-9-15-23(22)25)21-16-26(19-10-4-1-5-11-19)31-27(17-21)20-12-6-2-7-13-20;2-1(3,4)5/h1-18H;(H,2,3,4,5)/q+1;/p-1
InChIKey JXHMARCTEDVAMR-UHFFFAOYSA-M
Mol Weight 503.89 g/mol
Molecular Formula C27H18ClNO7
Exact Mass 503.07718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8q1SKRkPZrH
Name 4-(3-NITRO-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=NO2)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H18ClNO7
InChI InChI=1S/C27H18NO3.ClHO4/c29-28(30)25-18-24(22-14-8-3-9-15-23(22)25)21-16-26(19-10-4-1-5-11-19)31-27(17-21)20-12-6-2-7-13-20;2-1(3,4)5/h1-18H;(H,2,3,4,5)/q+1;/p-1
InChIKey JXHMARCTEDVAMR-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 503.895 g/mol
Sample ID 67582
Solvent ACETONE-D6