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3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hexa-1,3,5-trienyl]-3-thiophenyl]-1-cyclopentenyl]-2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hexa-1,3,5-trienyl]thiophene

View entire compound with spectra: 1 MS (GC)

3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hexa-1,3,5-trienyl]-3-thiophenyl]-1-cyclopentenyl]-2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hexa-1,3,5-trienyl]thiophene
SpectraBase Compound ID 8strAM4ny6G
InChI InChI=1S/C47H54F6S2/c1-29(21-23-39-31(3)17-13-25-43(39,7)8)15-11-19-35-27-37(33(5)54-35)41-42(46(50,51)47(52,53)45(41,48)49)38-28-36(55-34(38)6)20-12-16-30(2)22-24-40-32(4)18-14-26-44(40,9)10/h11-12,15-16,19-24,27-28H,13-14,17-18,25-26H2,1-10H3/b19-11+,20-12+,23-21+,24-22+,29-15+,30-16+
InChIKey XYJZJEGGYYJLDA-UOIMACNVSA-N
Mol Weight 797.1 g/mol
Molecular Formula C47H54F6S2
Exact Mass 796.357113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3TGyjR9ddg
Name 3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hexa-1,3,5-trienyl]-3-thiophenyl]-1-cyclopentenyl]-2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)hexa-1,3,5-trienyl]thiophene
Alternate Name(s) 3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]-3-thienyl]cyclopenten-1-yl]-2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]thiophene 3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]thiophene 3-[3,3,4,4,5,5-hexakis(fluoranyl)-2-[2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]thiophene
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Formula C47H54F6S2
InChI InChI=1S/C47H54F6S2/c1-29(21-23-39-31(3)17-13-25-43(39,7)8)15-11-19-35-27-37(33(5)54-35)41-42(46(50,51)47(52,53)45(41,48)49)38-28-36(55-34(38)6)20-12-16-30(2)22-24-40-32(4)18-14-26-44(40,9)10/h11-12,15-16,19-24,27-28H,13-14,17-18,25-26H2,1-10H3/b19-11+,20-12+,23-21+,24-22+,29-15+,30-16+
InChIKey XYJZJEGGYYJLDA-UOIMACNVSA-N
Molecular Weight 797.059 g/mol
SMILES C1(C(C(c2c(sc(c2)\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)=C(C1(F)F)c1c(sc(c1)\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)(F)F)(F)F
SPLASH splash10-0002-1000000900-c1479d84a0ba435f178d
Source of Spectrum U1-1998-2337-5
Wiley ID 751807