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4-(3,8-DIMETHYL-5-ISOPROPYL-AZULEN-1-YL)-2,6-DIMETHYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'ME2)
SpectraBase Compound ID 1RtvJ4pwhGr
InChI InChI=1S/C22H25O.ClHO4/c1-13(2)18-8-7-14(3)22-20(12-18)15(4)9-21(22)19-10-16(5)23-17(6)11-19;2-1(3,4)5/h7-13H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey NDRSFIIYTJHKPG-UHFFFAOYSA-M
Mol Weight 404.89 g/mol
Molecular Formula C22H25ClO5
Exact Mass 404.139052 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgtKWjix4Cq
Name 4-(3,8-DIMETHYL-5-ISOPROPYL-AZULEN-1-YL)-2,6-DIMETHYL-PYRANYLIUM-PERCHLORATE;(RN=5'-I-PR,3',8'ME2)
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25ClO5
InChI InChI=1S/C22H25O.ClHO4/c1-13(2)18-8-7-14(3)22-20(12-18)15(4)9-21(22)19-10-16(5)23-17(6)11-19;2-1(3,4)5/h7-13H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey NDRSFIIYTJHKPG-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 404.891 g/mol
Sample ID 67600
Solvent DMSO-D6