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Diethyl 4'-(4-(ethoxycarbonyl)phenyl)-Tetrathiafulvalene-4,5-dicarboxylate
SpectraBase Compound ID 3vjZFTaf12V
InChI InChI=1S/C21H20O6S4/c1-4-25-17(22)13-9-7-12(8-10-13)14-11-28-20(29-14)21-30-15(18(23)26-5-2)16(31-21)19(24)27-6-3/h7-11H,4-6H2,1-3H3
InChIKey XJPSBCBXJJCFMG-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C21H20O6S4
Exact Mass 496.014273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DBbq5LOclK
Name Diethyl 4'-(4-(ethoxycarbonyl)phenyl)-Tetrathiafulvalene-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O6S4
InChI InChI=1S/C21H20O6S4/c1-4-25-17(22)13-9-7-12(8-10-13)14-11-28-20(29-14)21-30-15(18(23)26-5-2)16(31-21)19(24)27-6-3/h7-11H,4-6H2,1-3H3
InChIKey XJPSBCBXJJCFMG-UHFFFAOYSA-N
Molecular Weight 496.625 g/mol
SMILES C1(SC(=C(S1)C(=O)OCC)C(=O)OCC)=C1SC(=CS1)c1ccc(cc1)C(=O)OCC
SPLASH splash10-0002-0012900000-076e928fb254b972cb83
Source of Spectrum A1-17-5356/SM30-8c
Synonyms Diethyl 4'-(4-(ethoxycarbonyl)phenyl)-[2,2'-bi(1,3-dithiolylidene)]-4,5-dicarboxylate
Wiley ID 1802604