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IR-786 perchlorate

View entire compound with spectra: 1 FTIR

IR-786 perchlorate
SpectraBase Compound ID BnZPtyONCNy
InChI InChI=1S/C32H36ClN2.ClHO4/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;2-1(3,4)5/h7-10,14-21H,11-13H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey NALBXTAOVMLCIX-UHFFFAOYSA-M
Mol Weight 583.6 g/mol
Molecular Formula C32H36Cl2N2O4
Exact Mass 582.205213 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8Nx0MA0OnEb
Name IR-786 perchlorate
Source of Sample Sigma-Aldrich
Catalog Number 407119
CAS Registry Number 102185-03-5
Classification Schiff bases, azobenzenes, indicators & dyes
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36Cl2N2O4
InChI InChI=1S/C32H36ClN2.ClHO4/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;2-1(3,4)5/h7-10,14-21H,11-13H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey NALBXTAOVMLCIX-UHFFFAOYSA-M
Purity Dye content 98 %
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-(2-[2-Chloro-3-([1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene]ethylidene)-1-cyclohexen-1-yl]ethenyl)-1,3,3-trimethylindolium perchlorate
Technique Mull
Wiley ID SIAL_FTIR_1_7840