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IR-783
SpectraBase Compound ID IJFoFnCBnDA
InChI InChI=1S/C38H47ClN2O6S2.Na/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23H,9-15,24-27H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1
InChIKey QQIQAVJARACLHE-UHFFFAOYSA-M
Mol Weight 749.35676928 g/mol
Molecular Formula C38H46ClN2NaO6S2
Exact Mass 748.238352 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HtFmwancpFu
Name IR-783
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 543292
Lot Number STBB838K9
CAS Registry Number 115970-66-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H46ClN2NaO6S2
InChI InChI=1S/C38H47ClN2O6S2.Na/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23H,9-15,24-27H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1
InChIKey QQIQAVJARACLHE-UHFFFAOYSA-M
Molecular Weight 749.357 g/mol
Solvent Methanol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-[2-[2-Chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium hydroxide, inner salt sodium salt
Technique Film
Wiley ID SIAL_FF-FTIR_000045