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4-(4,6,8-TRIMETHYL-AZULEN-1-YL)-2,6-DIMETHYL-PYRANYLIUM-PERCHLORATE;(RN=4',6',8'ME3)
SpectraBase Compound ID 9g9ZNXq6JWW
InChI InChI=1S/C20H21O.ClHO4/c1-12-8-13(2)18-6-7-19(20(18)14(3)9-12)17-10-15(4)21-16(5)11-17;2-1(3,4)5/h6-11H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey OIVFXTHYKOYAGQ-UHFFFAOYSA-M
Mol Weight 376.84 g/mol
Molecular Formula C20H21ClO5
Exact Mass 376.107751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Cl8LHS2sHy
Name 4-(4,6,8-TRIMETHYL-AZULEN-1-YL)-2,6-DIMETHYL-PYRANYLIUM-PERCHLORATE;(RN=4',6',8'ME3)
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21ClO5
InChI InChI=1S/C20H21O.ClHO4/c1-12-8-13(2)18-6-7-19(20(18)14(3)9-12)17-10-15(4)21-16(5)11-17;2-1(3,4)5/h6-11H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey OIVFXTHYKOYAGQ-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 376.837 g/mol
Sample ID 67598
Solvent ACETONE-D6