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Diethyl 4'-(2-(ethoxycarbonyl)allyl)-5'-(4-(ethoxycarbonyl)phenyl)-Tetrathiafulvalene-4,5-dicarboxylate
SpectraBase Compound ID 3AixkCad1LI
InChI InChI=1S/C27H28O8S4/c1-6-32-22(28)15(5)14-18-19(16-10-12-17(13-11-16)23(29)33-7-2)37-26(36-18)27-38-20(24(30)34-8-3)21(39-27)25(31)35-9-4/h10-13H,5-9,14H2,1-4H3
InChIKey KMLWOQQWYCKPTJ-UHFFFAOYSA-N
Mol Weight 608.8 g/mol
Molecular Formula C27H28O8S4
Exact Mass 608.066703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IlCqdF8QXMw
Name Diethyl 4'-(2-(ethoxycarbonyl)allyl)-5'-(4-(ethoxycarbonyl)phenyl)-Tetrathiafulvalene-4,5-dicarboxylate
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Formula C27H28O8S4
InChI InChI=1S/C27H28O8S4/c1-6-32-22(28)15(5)14-18-19(16-10-12-17(13-11-16)23(29)33-7-2)37-26(36-18)27-38-20(24(30)34-8-3)21(39-27)25(31)35-9-4/h10-13H,5-9,14H2,1-4H3
InChIKey KMLWOQQWYCKPTJ-UHFFFAOYSA-N
Molecular Weight 608.753 g/mol
SMILES C1(SC(=C(S1)C(=O)OCC)C(=O)OCC)=C1SC(=C(S1)c1ccc(cc1)C(=O)OCC)CC(=C)C(=O)OCC
SPLASH splash10-0a4i-0100149000-9797af8783eaf5877bed
Source of Spectrum A1-17-5356/SM38-9f
Synonyms Diethyl 4'-(2-(ethoxycarbonyl)allyl)-5'-(4-(ethoxycarbonyl)phenyl)-[2,2'-bi(1,3-dithiolylidene)]-4,5-dicarboxylate
Wiley ID 1802609