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1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide

View entire compound with spectra: 2 NMR, and 1 FTIR

1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
SpectraBase Compound ID 3Wk6PGTgvRc
InChI InChI=1S/C29H33N2.HI/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;/h7-21H,1-6H3;1H/q+1;/p-1
InChIKey JKXWXYURKUEZHV-UHFFFAOYSA-M
Mol Weight 536.50147 g/mol
Molecular Formula C29H33IN2
Exact Mass 536.168844 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GsrzTIPv9b4
Name 1,1',3,3,3',3'-Hexamethylindotricarbocyanine iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 252034
CAS Registry Number 19764-96-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33IN2
InChI InChI=1S/C29H33N2.HI/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;/h7-21H,1-6H3;1H/q+1;/p-1
InChIKey JKXWXYURKUEZHV-UHFFFAOYSA-M
Observed nucleus 1H
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-[7-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-3H-indolium iodide; HITC iodide
Wiley ID SIAL_1HNMR_004312