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IR-780 iodide

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IR-780 iodide
SpectraBase Compound ID GNKvc751JiY
InChI InChI=1S/C36H44ClN2.HI/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;/h9-12,16-23H,7-8,13-15,24-25H2,1-6H3;1H/q+1;/p-1
InChIKey IRPKBYJYVJOQHQ-UHFFFAOYSA-M
Mol Weight 667.1 g/mol
Molecular Formula C36H44ClIN2
Exact Mass 666.223772 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID I3I5tT9PI0L
Name IR-780 iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 425311
Lot Number MKBD0111
CAS Registry Number 207399-07-3
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H44ClIN2
InChI InChI=1S/C36H44ClN2.HI/c1-7-24-38-30-18-11-9-16-28(30)35(3,4)32(38)22-20-26-14-13-15-27(34(26)37)21-23-33-36(5,6)29-17-10-12-19-31(29)39(33)25-8-2;/h9-12,16-23H,7-8,13-15,24-25H2,1-6H3;1H/q+1;/p-1
InChIKey IRPKBYJYVJOQHQ-UHFFFAOYSA-M
Molecular Weight 667.119 g/mol
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-[2-[2-Chloro-3-[(1,3-dihydro-3,3-dimethyl-1-propyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindolium iodide
Technique Mull
Wiley ID SIAL_FF-FTIR_000039