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 Google Search
Mol Weight	518.48 g/mol
Molecular Formula	C23H23IN2S2
Exact Mass	518.034736 g/mol

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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