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3,3'-Dihexyloxacarbocyanine iodide

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

3,3'-Dihexyloxacarbocyanine iodide
SpectraBase Compound ID LMVmhkU2MJU
InChI InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1
InChIKey XVLXYDXJEKLXHN-UHFFFAOYSA-M
Mol Weight 572.5 g/mol
Molecular Formula C29H37IN2O2
Exact Mass 572.189973 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 4i8cNiaAFtD
Name 3,3'-Dihexyloxacarbocyanine iodide
Source of Sample Aldrich
Catalog Number 318426
CAS Registry Number 53213-82-4
Copyright Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H37IN2O2
InChI InChI=1S/C29H37N2O2.HI/c1-3-5-7-13-22-30-24-16-9-11-18-26(24)32-28(30)20-15-21-29-31(23-14-8-6-4-2)25-17-10-12-19-27(25)33-29;/h9-12,15-21H,3-8,13-14,22-23H2,1-2H3;1H/q+1;/p-1
InChIKey XVLXYDXJEKLXHN-UHFFFAOYSA-M
Purity 98%
Synonyms 3-hexyl-2-[3-(3-hexyl-2(3H)benzoxazolylidene)-1-propenyl]benzoxazolium iodide
Wiley ID SIAL_ATR-IR_015239