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IR-768 perchlorate

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IR-768 perchlorate
SpectraBase Compound ID JYzkdt1VWbN
InChI InChI=1S/C42H49N2O.ClHO4/c1-7-29-43-36-23-14-12-21-34(36)41(3,4)38(43)27-25-31-17-16-18-32(40(31)45-33-19-10-9-11-20-33)26-28-39-42(5,6)35-22-13-15-24-37(35)44(39)30-8-2;2-1(3,4)5/h9-15,19-28H,7-8,16-18,29-30H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey GHQVRJQZJKCVPV-UHFFFAOYSA-M
Mol Weight 697.3 g/mol
Molecular Formula C42H49ClN2O5
Exact Mass 696.333 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8hDEfbFgb5E
Name IR-768 perchlorate
Source of Sample Sigma-Aldrich
Catalog Number 427454
CAS Registry Number 207399-06-2
Classification Schiff bases, azobenzenes, indicators & dyes
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H49ClN2O5
InChI InChI=1S/C42H49N2O.ClHO4/c1-7-29-43-36-23-14-12-21-34(36)41(3,4)38(43)27-25-31-17-16-18-32(40(31)45-33-19-10-9-11-20-33)26-28-39-42(5,6)35-22-13-15-24-37(35)44(39)30-8-2;2-1(3,4)5/h9-15,19-28H,7-8,16-18,29-30H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChIKey GHQVRJQZJKCVPV-UHFFFAOYSA-M
Purity Dye content 85 %
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-[2-[3-[(1,3-Dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-2-phenoxy-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium perchlorate
Technique Mull
Wiley ID SIAL_FTIR_1_8103