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3-ethyl-2-[5-(3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl]benzothiazolium iodide
SpectraBase Compound ID 5mczYHD5cB7
InChI InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey MNQDKWZEUULFPX-UHFFFAOYSA-M
Mol Weight 518.48 g/mol
Molecular Formula C23H23IN2S2
Exact Mass 518.034736 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ZaAgMWDSxh
Name 3,3'-Diethylthiadicarbocyanine iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 173754
CAS Registry Number 514-73-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23IN2S2
InChI InChI=1S/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey MNQDKWZEUULFPX-UHFFFAOYSA-M
Observed nucleus 13C
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Ethyl-2-[5-(3-ethyl-2(3H)-benzothiazolylidene)-1,3-pentadienyl]benzothiazolium iodide DTDCI DiSC2(5)
Wiley ID SIAL_13CNMR_002116