John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BciECtNrHMB SpectraBase Spectrum ID=3gQMswCXHai

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TTF Para-2-Ester [4,5-Bis(hexylthia)-4'-methylthia-5'-(4-methoxycarbonylbenzylthia)tetrathiafulvalene]
SpectraBase Compound ID BciECtNrHMB
InChI InChI=1S/C28H38O2S8/c1-5-7-9-11-17-32-25-26(33-18-12-10-8-6-2)38-28(37-25)27-35-23(31-4)24(36-27)34-19-20-13-15-21(16-14-20)22(29)30-3/h13-16H,5-12,17-19H2,1-4H3
InChIKey HKGGWVPVCFCEDZ-UHFFFAOYSA-N
Mol Weight 663.1 g/mol
Molecular Formula C28H38O2S8
Exact Mass 662.063755 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID 3gQMswCXHai
Name TTF Para-2-Ester [4,5-Bis(hexylthia)-4'-methylthia-5'-(4-methoxycarbonylbenzylthia)tetrathiafulvalene]
Alternate Name(s) Methyl 4-[[2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanylmethyl]benzoate
Classification Benzoic acid esters
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Formula C28H38O2S8
InChI InChI=1S/C28H38O2S8/c1-5-7-9-11-17-32-25-26(33-18-12-10-8-6-2)38-28(37-25)27-35-23(31-4)24(36-27)34-19-20-13-15-21(16-14-20)22(29)30-3/h13-16H,5-12,17-19H2,1-4H3
InChIKey HKGGWVPVCFCEDZ-UHFFFAOYSA-N
SPLASH splash10-03di-0100009000-8c8767359271b3717b23
Source of Spectrum F-67-9136-4
SpectraBase Batch ID IHNim6GgpZL