TTF Para-12-Ester [4',4,5-Tri(methylthia)-5'-[10-(methoxycarbonylbenzoyl)decylthia]tetrathiafulvalene]

SpectraBase Compound ID	D1pBXE3VlxW
InChI	InChI=1S/C27H36O3S8/c1-29-21(28)19-13-15-20(16-14-19)30-17-11-9-7-5-6-8-10-12-18-34-25-24(33-4)37-27(38-25)26-35-22(31-2)23(32-3)36-26/h13-16H,5-12,17-18H2,1-4H3
InChIKey	KVSKCIGURXGFDE-UHFFFAOYSA-N Google Search
Mol Weight	665.1 g/mol
Molecular Formula	C27H36O3S8
Exact Mass	664.043014 g/mol

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SpectraBase Spectrum ID	1yyKkioDXYU
Name	TTF Para-12-Ester [4',4,5-Tri(methylthia)-5'-[10-(methoxycarbonylbenzoyl)decylthia]tetrathiafulvalene]
Alternate Name(s)	Methyl 4-[10-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]decoxy]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H36O3S8
InChI	InChI=1S/C27H36O3S8/c1-29-21(28)19-13-15-20(16-14-19)30-17-11-9-7-5-6-8-10-12-18-34-25-24(33-4)37-27(38-25)26-35-22(31-2)23(32-3)36-26/h13-16H,5-12,17-18H2,1-4H3
InChIKey	KVSKCIGURXGFDE-UHFFFAOYSA-N
Molecular Weight	665.062 g/mol
SMILES	C1(=C2SC(SC)=C(S2)SC)SC(SC)=C(S1)SCCCCCCCCCCOc1ccc(C(=O)OC)cc1
SPLASH	splash10-03xr-0100009000-6152d7f2270e2f09978a
Source of Spectrum	F-67-9136-12
Wiley ID	1571361