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1,4,5,8-Tetrahydro-2,7(6)-bis(2'-cyanoethylthio)-3,6(7)-[1,4-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)phenylene]-1,4,5,8-tetrathiafulvalene
SpectraBase Compound ID EmvReXtUubX
InChI InChI=1S/C30H36N2O6S8/c31-7-1-19-39-25-27-41-21-17-35-11-9-33-13-15-37-23-3-5-24(6-4-23)38-16-14-34-10-12-36-18-22-42-28-26(40-20-2-8-32)44-30(46-28)29(43-25)45-27/h3-6H,1-2,9-22H2/b30-29-
InChIKey MXKIYZZNWNJHIK-FLWNBWAVSA-N
Mol Weight 777.1 g/mol
Molecular Formula C30H36N2O6S8
Exact Mass 776.033906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCK61h6bMle
Name 1,4,5,8-Tetrahydro-2,7(6)-bis(2'-cyanoethylthio)-3,6(7)-[1,4-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)phenylene]-1,4,5,8-tetrathiafulvalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36N2O6S8
InChI InChI=1S/C30H36N2O6S8/c31-7-1-19-39-25-27-41-21-17-35-11-9-33-13-15-37-23-3-5-24(6-4-23)38-16-14-34-10-12-36-18-22-42-28-26(40-20-2-8-32)44-30(46-28)29(43-25)45-27/h3-6H,1-2,9-22H2/b30-29-
InChIKey MXKIYZZNWNJHIK-FLWNBWAVSA-N
Molecular Weight 777.106 g/mol
SMILES C12=C3SC(SCCOCCOCCOc4ccc(OCCOCCOCCSC(S2)=C(S1)SCCC#N)cc4)=C(S3)SCCC#N
SPLASH splash10-0ue9-9300400100-3753fe7b99112af96b94
Source of Spectrum QE-2-631-7
Wiley ID 842637