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5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexenyl)deca-1,3,5,7,9-pentaenyl]-3-[2-[5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexenyl)deca-1,3,5,7,9-pentaenyl]-2-methyl-3-thiophenyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-2-methylthiophene

View entire compound with spectra: 1 MS (GC)

5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexenyl)deca-1,3,5,7,9-pentaenyl]-3-[2-[5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexenyl)deca-1,3,5,7,9-pentaenyl]-2-methyl-3-thiophenyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-2-methylthiophene
SpectraBase Compound ID 4ZldtvoKWz8
InChI InChI=1S/C57H66F6S2/c1-37(19-13-21-39(3)29-31-49-41(5)25-17-33-53(49,9)10)23-15-27-45-35-47(43(7)64-45)51-52(56(60,61)57(62,63)55(51,58)59)48-36-46(65-44(48)8)28-16-24-38(2)20-14-22-40(4)30-32-50-42(6)26-18-34-54(50,11)12/h13-16,19-24,27-32,35-36H,17-18,25-26,33-34H2,1-12H3/b19-13+,20-14+,27-15+,28-16+,31-29+,32-30+,37-23+,38-24+,39-21+,40-22+
InChIKey FAQABWPISLTHFT-WSPKFGCISA-N
Mol Weight 929.3 g/mol
Molecular Formula C57H66F6S2
Exact Mass 928.451013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvwtPrh8tye
Name 5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexenyl)deca-1,3,5,7,9-pentaenyl]-3-[2-[5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexenyl)deca-1,3,5,7,9-pentaenyl]-2-methyl-3-thiophenyl]-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-2-methylthiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C57H66F6S2
InChI InChI=1S/C57H66F6S2/c1-37(19-13-21-39(3)29-31-49-41(5)25-17-33-53(49,9)10)23-15-27-45-35-47(43(7)64-45)51-52(56(60,61)57(62,63)55(51,58)59)48-36-46(65-44(48)8)28-16-24-38(2)20-14-22-40(4)30-32-50-42(6)26-18-34-54(50,11)12/h13-16,19-24,27-32,35-36H,17-18,25-26,33-34H2,1-12H3/b19-13+,20-14+,27-15+,28-16+,31-29+,32-30+,37-23+,38-24+,39-21+,40-22+
InChIKey FAQABWPISLTHFT-WSPKFGCISA-N
Molecular Weight 929.265 g/mol
SMILES C1(C(C(c2c(sc(c2)\C=C\C=C\(\C=C\C=C\(\C=C\C2=C(CCCC2(C)C)C)C)C)C)=C(C1(F)F)c1c(sc(c1)\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C)(F)F)(F)F
SPLASH splash10-0006-9000000000-fe36c042d55d6e7681b7
Source of Spectrum U1-1998-2338-8
Synonyms 5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-3-[2-[5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-2-methyl-3-thienyl]-3,3,4,4,5,5-hexafluoro-cyclopenten-1-yl]-2-methyl-thiophene 5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-3-[2-[5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-2-methyl-thiophen-3-yl]-3,3,4,4,5,5-hexakis(fluoranyl)cyclopenten-1-yl]-2-methyl-thiophene 5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-3-[2-[5-[(1E,3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-2-methylthiophene
Wiley ID 751802