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3,3'-Dipropyloxacarbocyanine iodide

View entire compound with spectra: 2 NMR, and 1 FTIR

3,3'-Dipropyloxacarbocyanine iodide
SpectraBase Compound ID LEcLoCmgoPQ
InChI InChI=1S/C23H25N2O2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
InChIKey LWWWYHFXRJVZBL-UHFFFAOYSA-M
Mol Weight 488.36947 g/mol
Molecular Formula C23H25IN2O2
Exact Mass 488.096073 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7KXhgtAUD38
Name 3,3'-Dipropyloxacarbocyanine iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 320706
CAS Registry Number 53213-79-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25IN2O2
InChI InChI=1S/C23H25N2O2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
InChIKey LWWWYHFXRJVZBL-UHFFFAOYSA-M
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Propyl-2-[3-[3-propyl-2(3H)-benzoxazolylidene]-1-propenyl]benzoxazolium iodide; DiOC3(3)
Wiley ID SIAL_1HNMR_006313