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4-(3,8-DIMETHYL-5-ISOPROPYL-AZULENE-1-YL)-2,3,6-TRIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'ME2;R=ME;X=H)
SpectraBase Compound ID Lrnyz1ITCXI
InChI InChI=1S/C38H33O.ClHO4/c1-25(2)31-21-20-26(3)36-32(23-31)27(4)22-33(36)34-24-35(28-14-8-5-9-15-28)39-38(30-18-12-7-13-19-30)37(34)29-16-10-6-11-17-29;2-1(3,4)5/h5-25H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey BQIVMVJLSDNJRR-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 I6ewe1RTtdJ
Name 4-(3,8-DIMETHYL-5-ISOPROPYL-AZULENE-1-YL)-2,3,6-TRIPHENYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'ME2;R=ME;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/c1-25(2)31-21-20-26(3)36-32(23-31)27(4)22-33(36)34-24-35(28-14-8-5-9-15-28)39-38(30-18-12-7-13-19-30)37(34)29-16-10-6-11-17-29;2-1(3,4)5/h5-25H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKey BQIVMVJLSDNJRR-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 67591
Solvent ACETONE-D6