TTF Para-6-Ester [4',4,5-Tri(methylthia)-5'-[4-(methoxycarbonylbenzoyl)butylthia]tetrathiafulvalene]

SpectraBase Compound ID	2bHAdZKlk6R
InChI	InChI=1S/C21H24O3S8/c1-23-15(22)13-7-9-14(10-8-13)24-11-5-6-12-28-19-18(27-4)31-21(32-19)20-29-16(25-2)17(26-3)30-20/h7-10H,5-6,11-12H2,1-4H3
InChIKey	CGMVUMBLIJHQBA-UHFFFAOYSA-N Google Search
Mol Weight	580.9 g/mol
Molecular Formula	C21H24O3S8
Exact Mass	579.949114 g/mol

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SpectraBase Spectrum ID	BD9ykiUx32s
Name	TTF Para-6-Ester [4',4,5-Tri(methylthia)-5'-[4-(methoxycarbonylbenzoyl)butylthia]tetrathiafulvalene]
Alternate Name(s)	Methyl 4-[4-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]butoxy]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H24O3S8
InChI	InChI=1S/C21H24O3S8/c1-23-15(22)13-7-9-14(10-8-13)24-11-5-6-12-28-19-18(27-4)31-21(32-19)20-29-16(25-2)17(26-3)30-20/h7-10H,5-6,11-12H2,1-4H3
InChIKey	CGMVUMBLIJHQBA-UHFFFAOYSA-N
Molecular Weight	580.900 g/mol
SMILES	C1(=C2SC(SC)=C(S2)SC)SC(SC)=C(S1)SCCCCOc1ccc(C(=O)OC)cc1
SPLASH	splash10-001i-1310090000-ae9609e309f034a68bd9
Source of Spectrum	F-67-9136-8
Wiley ID	1571364