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3,3'-Bis(benzylthio)-4,4',5,5'-tetraphenyl-2,2'-dithienyl

View entire compound with spectra: 1 MS (GC)

3,3'-Bis(benzylthio)-4,4',5,5'-tetraphenyl-2,2'-dithienyl
SpectraBase Compound ID 6Pg8ZObbjyz
InChI InChI=1S/C46H34S4/c1-7-19-33(20-8-1)31-47-43-39(35-23-11-3-12-24-35)41(37-27-15-5-16-28-37)49-45(43)46-44(48-32-34-21-9-2-10-22-34)40(36-25-13-4-14-26-36)42(50-46)38-29-17-6-18-30-38/h1-30H,31-32H2
InChIKey KFRLMOCPPIWWCT-UHFFFAOYSA-N
Mol Weight 715.0 g/mol
Molecular Formula C46H34S4
Exact Mass 714.154336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWZdMfLLSGA
Name 3,3'-Bis(benzylthio)-4,4',5,5'-tetraphenyl-2,2'-dithienyl
Alternate Name(s) 3-(benzylsulfanyl)-2-[3-(benzylsulfanyl)-4,5-diphenylthiophen-2-yl]-4,5-diphenylthiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H34S4
InChI InChI=1S/C46H34S4/c1-7-19-33(20-8-1)31-47-43-39(35-23-11-3-12-24-35)41(37-27-15-5-16-28-37)49-45(43)46-44(48-32-34-21-9-2-10-22-34)40(36-25-13-4-14-26-36)42(50-46)38-29-17-6-18-30-38/h1-30H,31-32H2
InChIKey KFRLMOCPPIWWCT-UHFFFAOYSA-N
Molecular Weight 715.018 g/mol
SMILES c1(-c2c(c(-c3ccccc3)c(s2)-c2ccccc2)SCc2ccccc2)c(c(-c2ccccc2)c(s1)-c1ccccc1)SCc1ccccc1
SPLASH splash10-001i-0000091300-ca008508f6bb4316f18d
Source of Spectrum F-53-7524-38
Wiley ID 802380