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3,3'-Diethyloxacarbocyanine iodide

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

3,3'-Diethyloxacarbocyanine iodide
SpectraBase Compound ID EnWUZkY2z4k
InChI InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey FIZZUEJIOKEFFZ-UHFFFAOYSA-M
Mol Weight 460.32 g/mol
Molecular Formula C21H21IN2O2
Exact Mass 460.064773 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7X4w41qiyvb
Name 3,3'-Diethyloxacarbocyanine iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 320684
CAS Registry Number 905-96-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21IN2O2
InChI InChI=1S/C21H21N2O2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey FIZZUEJIOKEFFZ-UHFFFAOYSA-M
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Ethyl-2-[3-(3-ethyl-2(3H)-benzoxazolylidene)-1-propenyl]benzoxazolium iodide DOC Iodide DiOC2(3)
Wiley ID SIAL_13CNMR_006370