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4-(3-ACETYLAMINO-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=AC)
SpectraBase Compound ID 3KEvv7TQiHH
InChI InChI=1S/C29H21NO2.ClHO4/c1-20(31)30-27-19-26(24-15-9-4-10-16-25(24)27)23-17-28(21-11-5-2-6-12-21)32-29(18-23)22-13-7-3-8-14-22;2-1(3,4)5/h2-19H,1H3;(H,2,3,4,5)
InChIKey VYGJSBBQCCKOCL-UHFFFAOYSA-N
Mol Weight 515.95 g/mol
Molecular Formula C29H22ClNO6
Exact Mass 515.113565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Co1zdLqBPj2
Name 4-(3-ACETYLAMINO-AZULEN-1-YL)-2,6-DIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=R=H;X=AC)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H22ClNO6
InChI InChI=1S/C29H21NO2.ClHO4/c1-20(31)30-27-19-26(24-15-9-4-10-16-25(24)27)23-17-28(21-11-5-2-6-12-21)32-29(18-23)22-13-7-3-8-14-22;2-1(3,4)5/h2-19H,1H3;(H,2,3,4,5)
InChIKey VYGJSBBQCCKOCL-UHFFFAOYSA-N
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 515.950 g/mol
Sample ID 67578
Solvent ACETONE-D6