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1,3,3-trimethyl-2-[(1E,3E,5E,7Z)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]indol-1-ium perchlorate
SpectraBase Compound ID 8vIgNuZ0wjo
InChI InChI=1S/C29H33N2.ClHO4/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;2-1(3,4)5/h7-21H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey NHQOULZCPKJYMM-UHFFFAOYSA-M
Mol Weight 509.0 g/mol
Molecular Formula C29H33ClN2O4
Exact Mass 508.212885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsfJxd7vkve
Name 1,3,3-trimethyl-2-[(1E,3E,5E,7Z)-7-(1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]indol-1-ium perchlorate
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33ClN2O4
InChI InChI=1S/C29H33N2.ClHO4/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;2-1(3,4)5/h7-21H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey NHQOULZCPKJYMM-UHFFFAOYSA-M
Literature Reference Author Q.LI,J.TAN,B.X.PENG
Literature Reference Citation MOLECULES,2,91(1997)
Literature Reference DOI 10.3390/20600091
Molecular Weight 509.045 g/mol
Solvent DMSO-D6
Source File Reference UWVN7096