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2,3,6-tris[Methylthio]-7-]2'-(2"-phthalimidoethoxy)ethylthiol]tetrathiafulvalene
SpectraBase Compound ID 1aq7S9Iu0z0
InChI InChI=1S/C21H21NO3S8/c1-26-16-17(27-2)31-20(30-16)21-32-18(28-3)19(33-21)29-11-10-25-9-8-22-14(23)12-6-4-5-7-13(12)15(22)24/h4-7H,8-11H2,1-3H3
InChIKey QOOPOELWBHUIEA-UHFFFAOYSA-N
Mol Weight 591.9 g/mol
Molecular Formula C21H21NO3S8
Exact Mass 590.928713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cyh0DTTFBIQ
Name 2,3,6-tris[Methylthio]-7-]2'-(2"-phthalimidoethoxy)ethylthiol]tetrathiafulvalene
Alternate Name(s) 2-[2-[2-[[2-[4,5-bis(methylthio)-1,3-dithiol-2-ylidene]-5-(methylthio)-1,3-dithiol-4-yl]thio]ethoxy]ethyl]isoindole-1,3-dione 2-[2-[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethyl]isoindoline-1,3-dione 2-[2-[2-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethoxy]ethyl]isoindole-1,3-dione
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Formula C21H21NO3S8
InChI InChI=1S/C21H21NO3S8/c1-26-16-17(27-2)31-20(30-16)21-32-18(28-3)19(33-21)29-11-10-25-9-8-22-14(23)12-6-4-5-7-13(12)15(22)24/h4-7H,8-11H2,1-3H3
InChIKey QOOPOELWBHUIEA-UHFFFAOYSA-N
Molecular Weight 591.883 g/mol
SMILES C1(N(C(c2ccccc12)=O)CCOCCSC=1SC(=C2SC(SC)=C(S2)SC)SC1SC)=O
SPLASH splash10-0006-2410090000-7e958c29975b8fbadb85
Source of Spectrum K1-2000-2141-8
Wiley ID 750384