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2,2'-(1,4-phenylene)bis[(4-benzoyl-5-(t-butylthio)-3-phenylthiophene]
SpectraBase Compound ID 8ATWwoF1JJe
InChI InChI=1S/C48H42O2S4/c1-47(2,3)53-45-39(41(49)33-23-15-9-16-24-33)37(31-19-11-7-12-20-31)43(51-45)35-27-29-36(30-28-35)44-38(32-21-13-8-14-22-32)40(46(52-44)54-48(4,5)6)42(50)34-25-17-10-18-26-34/h7-30H,1-6H3
InChIKey XEPIFRPQGJUMIN-UHFFFAOYSA-N
Mol Weight 779.1 g/mol
Molecular Formula C48H42O2S4
Exact Mass 778.206765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XmCA3GFIzP
Name 2,2'-(1,4-phenylene)bis[(4-benzoyl-5-(t-butylthio)-3-phenylthiophene]
CAS Registry Number 110718-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H42O2S4
InChI InChI=1S/C48H42O2S4/c1-47(2,3)53-45-39(41(49)33-23-15-9-16-24-33)37(31-19-11-7-12-20-31)43(51-45)35-27-29-36(30-28-35)44-38(32-21-13-8-14-22-32)40(46(52-44)54-48(4,5)6)42(50)34-25-17-10-18-26-34/h7-30H,1-6H3
InChIKey XEPIFRPQGJUMIN-UHFFFAOYSA-N
Molecular Weight 779.102 g/mol
SMILES c1(c(sc(c1-c1ccccc1)-c1ccc(-c2c(c(C(=O)c3ccccc3)c(s2)SC(C)(C)C)-c2ccccc2)cc1)SC(C)(C)C)C(=O)c1ccccc1
SPLASH splash10-0a4i-7900006100-fa34346f31775d2df4de
Source of Spectrum K-121-321-20
Synonyms [5-{4-[4-benzoyl-5-(tert-butylsulfanyl)-3-phenyl-2-thienyl]phenyl}-2-(tert-butylsulfanyl)-4-phenyl-3-thienyl](phenyl)methanone
Wiley ID 1416861