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Diethyl 4'-iodo-Tetrathiafulvalene-4,5-dicarboxylate
SpectraBase Compound ID J3mhlC3GER5
InChI InChI=1S/C12H11IO4S4/c1-3-16-9(14)7-8(10(15)17-4-2)21-12(20-7)11-18-5-6(13)19-11/h5H,3-4H2,1-2H3
InChIKey KHLZVOLALDTMKD-UHFFFAOYSA-N
Mol Weight 474.4 g/mol
Molecular Formula C12H11IO4S4
Exact Mass 473.858489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuF3nvEhLLH
Name Diethyl 4'-iodo-Tetrathiafulvalene-4,5-dicarboxylate
Alternate Name(s) Diethyl 4'-iodo-[2,2'-bi(1,3-dithiolylidene)]-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11IO4S4
InChI InChI=1S/C12H11IO4S4/c1-3-16-9(14)7-8(10(15)17-4-2)21-12(20-7)11-18-5-6(13)19-11/h5H,3-4H2,1-2H3
InChIKey KHLZVOLALDTMKD-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b02715
Molecular Weight 474.360 g/mol
SMILES C1(SC(=C(S1)C(=O)OCC)C(=O)OCC)=C1SC(=CS1)I
SPLASH splash10-00di-4442900000-0a281c22492b86192896
Source of Spectrum A1-17-5356/SM28-8a
Wiley ID 1802602