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5-chloro-2-[(1E,3E,5E,7Z)-7-(5-chloro-1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-1,3,3-trimethylindol-1-ium perchlorate

View entire compound with spectra: 1 NMR

5-chloro-2-[(1E,3E,5E,7Z)-7-(5-chloro-1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-1,3,3-trimethylindol-1-ium perchlorate
SpectraBase Compound ID JqWJ8KI2z6v
InChI InChI=1S/C29H31Cl2N2.ClHO4/c1-28(2)22-18-20(30)14-16-24(22)32(5)26(28)12-10-8-7-9-11-13-27-29(3,4)23-19-21(31)15-17-25(23)33(27)6;2-1(3,4)5/h7-19H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey FEFHVVCAFGQHED-UHFFFAOYSA-M
Mol Weight 577.94 g/mol
Molecular Formula C29H31Cl3N2O4
Exact Mass 576.134941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGf0ZJufouB
Name 5-chloro-2-[(1E,3E,5E,7Z)-7-(5-chloro-1,3,3-trimethylindol-2-ylidene)hepta-1,3,5-trienyl]-1,3,3-trimethylindol-1-ium perchlorate
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H31Cl3N2O4
InChI InChI=1S/C29H31Cl2N2.ClHO4/c1-28(2)22-18-20(30)14-16-24(22)32(5)26(28)12-10-8-7-9-11-13-27-29(3,4)23-19-21(31)15-17-25(23)33(27)6;2-1(3,4)5/h7-19H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey FEFHVVCAFGQHED-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 577.935 g/mol
Solvent DMSO-D6
Source File Reference UWVN7097