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4-(2-TERT.-BUTYL-6-METHYL-AZULEN-1-YL)-2,3,6-TRIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=2'-T-BU,6'ME;R=PH;X=H)
SpectraBase Compound ID CwurSPEkJUN
InChI InChI=1S/C38H33O.ClHO4/c1-26-20-22-30-24-33(38(2,3)4)36(31(30)23-21-26)32-25-34(27-14-8-5-9-15-27)39-37(29-18-12-7-13-19-29)35(32)28-16-10-6-11-17-28;2-1(3,4)5/h5-25H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey JKTDUBIROHCDDS-UHFFFAOYSA-M
Mol Weight 605.13 g/mol
Molecular Formula C38H33ClO5
Exact Mass 604.201652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3kosGj9tq5
Name 4-(2-TERT.-BUTYL-6-METHYL-AZULEN-1-YL)-2,3,6-TRIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=2'-T-BU,6'ME;R=PH;X=H)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H33ClO5
InChI InChI=1S/C38H33O.ClHO4/c1-26-20-22-30-24-33(38(2,3)4)36(31(30)23-21-26)32-25-34(27-14-8-5-9-15-27)39-37(29-18-12-7-13-19-29)35(32)28-16-10-6-11-17-28;2-1(3,4)5/h5-25H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey JKTDUBIROHCDDS-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 605.130 g/mol
Sample ID 67589
Solvent ACETONE-D6