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2,3-Bis(2-cyanoethylthio)-6,7-bis(tert-butyldiphenylsilyloxymethyl)tetrathiafulvalene
SpectraBase Compound ID BWWWA6c4DB9
InChI InChI=1S/C46H50N2O2S6Si2/c1-45(2,3)57(35-21-11-7-12-22-35,36-23-13-8-14-24-36)49-33-39-40(54-43(53-39)44-55-41(51-31-19-29-47)42(56-44)52-32-20-30-48)34-50-58(46(4,5)6,37-25-15-9-16-26-37)38-27-17-10-18-28-38/h7-18,21-28H,19-20,31-34H2,1-6H3
InChIKey SWEBXRWXGHFUPR-UHFFFAOYSA-N
Mol Weight 911.4 g/mol
Molecular Formula C46H50N2O2S6Si2
Exact Mass 910.173509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZSg8bDtRmq
Name 2,3-Bis(2-cyanoethylthio)-6,7-bis(tert-butyldiphenylsilyloxymethyl)tetrathiafulvalene
Comments Less than 3 mono-isotopic peaks
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Formula C46H50N2O2S6Si2
InChI InChI=1S/C46H50N2O2S6Si2/c1-45(2,3)57(35-21-11-7-12-22-35,36-23-13-8-14-24-36)49-33-39-40(54-43(53-39)44-55-41(51-31-19-29-47)42(56-44)52-32-20-30-48)34-50-58(46(4,5)6,37-25-15-9-16-26-37)38-27-17-10-18-28-38/h7-18,21-28H,19-20,31-34H2,1-6H3
InChIKey SWEBXRWXGHFUPR-UHFFFAOYSA-N
Molecular Weight 911.448 g/mol
SMILES C1(=C2SC(CO[Si](C(C)(C)C)(c3ccccc3)c3ccccc3)=C(S2)CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)SC(SCCC#N)=C(S1)SCCC#N
SPLASH splash10-0002-0900000000-8b76664f87cc4ea8d32c
Source of Spectrum SO-0-806-4
Synonyms 3-({2-[4,5-bis({[(tert-butyldiphenylsilyl)oxy]methyl})-2H-1,3-dithiol-2-ylidene]-5-[(2-cyanoethyl)sulfanyl]-2H-1,3-dithiol-4-yl}sulfanyl)propanenitrile 4,5-Bis(2-cyanoethylthio)-4',5'-bis(tert-butyldiphenylsilyloxymethyl)tetrathiafulvalene
Wiley ID 876672