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1,4,5,8-Tetrahydro-2,7(6)-[9,10-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)anthrylene]-3,6(7)-bis(methylthio)-1,4,5,8-tetrathiafulvalene
SpectraBase Compound ID CzKZ16VHvSi
InChI InChI=1S/C34H38O6S8/c1-41-29-31-43-21-19-37-13-11-35-15-17-39-27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)40-18-16-36-12-14-38-20-22-44-32-30(42-2)46-34(48-32)33(45-29)47-31/h3-10H,11-22H2,1-2H3/b34-33-
InChIKey CITLJIJLAOGVEN-YHZPTAEISA-N
Mol Weight 799.2 g/mol
Molecular Formula C34H38O6S8
Exact Mass 798.043408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46h3E8RlwG
Name 1,4,5,8-Tetrahydro-2,7(6)-[9,10-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)anthrylene]-3,6(7)-bis(methylthio)-1,4,5,8-tetrathiafulvalene
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Formula C34H38O6S8
InChI InChI=1S/C34H38O6S8/c1-41-29-31-43-21-19-37-13-11-35-15-17-39-27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)40-18-16-36-12-14-38-20-22-44-32-30(42-2)46-34(48-32)33(45-29)47-31/h3-10H,11-22H2,1-2H3/b34-33-
InChIKey CITLJIJLAOGVEN-YHZPTAEISA-N
Molecular Weight 799.152 g/mol
SMILES C12=C3SC(SCCOCCOCCOc4c5c(c(OCCOCCOCCSC(S2)=C(S1)SC)c1c4cccc1)cccc5)=C(S3)SC
SPLASH splash10-0002-8070000940-4049827ef243ff48909b
Source of Spectrum QE-2-630-5
Synonyms 13,18-bis(methylsulfanyl)-5,8,11,20,23,26-hexaoxa-2,14,17,29,43,44-hexathiahexacyclo[28.6.6.1(12,15).1(16,19).0(31,36).0(37,42)]tetratetraconta-1(36),12,15,18,30,31,33,35,37(42),38,40-undecaene
Wiley ID 842638