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1,4,5,8-Tetrahydro-2,7(6)-bis(2'-cyanoethylthio)-3,6(7)-[9,10-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)anthrylene]-1,4,5,8-tetrathiafulvalene
SpectraBase Compound ID Kmxl4J7Udbp
InChI InChI=1S/C38H40N2O6S8/c39-11-5-23-47-33-35-49-25-21-43-15-13-41-17-19-45-31-27-7-1-2-8-28(27)32(30-10-4-3-9-29(30)31)46-20-18-42-14-16-44-22-26-50-36-34(48-24-6-12-40)52-38(54-36)37(51-33)53-35/h1-4,7-10H,5-6,13-26H2/b38-37-
InChIKey GVXUNEVDJLZULE-DTTHWBISSA-N
Mol Weight 877.2 g/mol
Molecular Formula C38H40N2O6S8
Exact Mass 876.065206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IumIqTgRkH1
Name 1,4,5,8-Tetrahydro-2,7(6)-bis(2'-cyanoethylthio)-3,6(7)-[9,10-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)anthrylene]-1,4,5,8-tetrathiafulvalene
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Formula C38H40N2O6S8
InChI InChI=1S/C38H40N2O6S8/c39-11-5-23-47-33-35-49-25-21-43-15-13-41-17-19-45-31-27-7-1-2-8-28(27)32(30-10-4-3-9-29(30)31)46-20-18-42-14-16-44-22-26-50-36-34(48-24-6-12-40)52-38(54-36)37(51-33)53-35/h1-4,7-10H,5-6,13-26H2/b38-37-
InChIKey GVXUNEVDJLZULE-DTTHWBISSA-N
Molecular Weight 877.226 g/mol
SMILES C12=C3SC(SCCOCCOCCOc4c5c(c(OCCOCCOCCSC(S2)=C(S1)SCCC#N)c1c4cccc1)cccc5)=C(S3)SCCC#N
SPLASH splash10-056r-9070000010-f56f78ae1fb471794ee6
Source of Spectrum QE-2-631-7
Wiley ID 842636