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1,2-Bis(4-(3,3,4,4,5,5-hexafluoro-2-(5-(4-methoxyphenyl)-2-methylthiophen-3-yl)cyclopent-1-enyl)-5-methylthiophen-2-yl)ethyne

View entire compound with spectra: 1 MS (GC)

1,2-Bis(4-(3,3,4,4,5,5-hexafluoro-2-(5-(4-methoxyphenyl)-2-methylthiophen-3-yl)cyclopent-1-enyl)-5-methylthiophen-2-yl)ethyne
SpectraBase Compound ID FmZDO0ptCkc
InChI InChI=1S/C46H30F12O2S4/c1-21-31(37-39(43(51,52)45(55,56)41(37,47)48)33-19-35(63-23(33)3)25-7-11-27(59-5)12-8-25)17-29(61-21)15-16-30-18-32(22(2)62-30)38-40(44(53,54)46(57,58)42(38,49)50)34-20-36(64-24(34)4)26-9-13-28(60-6)14-10-26/h7-14,17-20H,1-6H3
InChIKey BQUJEPMHPCTRMD-UHFFFAOYSA-N
Mol Weight 971.0 g/mol
Molecular Formula C46H30F12O2S4
Exact Mass 970.093703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GoJ3t5nYUo
Name 1,2-Bis(4-(3,3,4,4,5,5-hexafluoro-2-(5-(4-methoxyphenyl)-2-methylthiophen-3-yl)cyclopent-1-enyl)-5-methylthiophen-2-yl)ethyne
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H30F12O2S4
InChI InChI=1S/C46H30F12O2S4/c1-21-31(37-39(43(51,52)45(55,56)41(37,47)48)33-19-35(63-23(33)3)25-7-11-27(59-5)12-8-25)17-29(61-21)15-16-30-18-32(22(2)62-30)38-40(44(53,54)46(57,58)42(38,49)50)34-20-36(64-24(34)4)26-9-13-28(60-6)14-10-26/h7-14,17-20H,1-6H3
InChIKey BQUJEPMHPCTRMD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200900503
Molecular Weight 970.965 g/mol
SMILES c1(sc(cc1C=1C(F)(F)C(C(C1c1c(sc(c1)C#Cc1cc(c(s1)C)C1=C(c2c(sc(c2)-c2ccc(cc2)OC)C)C(C(C1(F)F)(F)F)(F)F)C)(F)F)(F)F)-c1ccc(cc1)OC)C
SPLASH splash10-00di-1700000009-0e50e43ba9116b2ee187
Source of Spectrum CAJ-5-1210-16
Synonyms 1,2-Bis(4-(3,3,4,4,5,5-hexafluoro-2-(5-(4-methoxyphenyl)-2-methylthiophen-3-yl)cyclopent-1-en-1-yl)-5-methylthiophen-2-yl)ethyne
Wiley ID 1774641