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3,3'-Diethylthiacyanine iodide

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

3,3'-Diethylthiacyanine iodide
SpectraBase Compound ID Jy6eMUR5av5
InChI InChI=1S/C19H19N2S2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey XWUVSDMFUQTKQC-UHFFFAOYSA-M
Mol Weight 466.4 g/mol
Molecular Formula C19H19IN2S2
Exact Mass 466.003436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2a5hekE6ccO
Name 3,3'-Diethylthiacyanine iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 390410
CAS Registry Number 2197-01-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19IN2S2
InChI InChI=1S/C19H19N2S2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey XWUVSDMFUQTKQC-UHFFFAOYSA-M
Observed nucleus 1H
Purity Dye content ~97 %
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_008458