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1,2-bis[5'-(p-Heptyloxyphenyl)-2'-methylthiophen-3'-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene

View entire compound with spectra: 1 MS (GC)

1,2-bis[5'-(p-Heptyloxyphenyl)-2'-methylthiophen-3'-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene
SpectraBase Compound ID 4g4wzxldxzM
InChI InChI=1S/C41H46F6O2S2/c1-5-7-9-11-13-23-48-31-19-15-29(16-20-31)35-25-33(27(3)50-35)37-38(40(44,45)41(46,47)39(37,42)43)34-26-36(51-28(34)4)30-17-21-32(22-18-30)49-24-14-12-10-8-6-2/h15-22,25-26H,5-14,23-24H2,1-4H3
InChIKey XKKZGZGTRKQMIE-UHFFFAOYSA-N
Mol Weight 748.9 g/mol
Molecular Formula C41H46F6O2S2
Exact Mass 748.284342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZWZJLgafY
Name 1,2-bis[5'-(p-Heptyloxyphenyl)-2'-methylthiophen-3'-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H46F6O2S2
InChI InChI=1S/C41H46F6O2S2/c1-5-7-9-11-13-23-48-31-19-15-29(16-20-31)35-25-33(27(3)50-35)37-38(40(44,45)41(46,47)39(37,42)43)34-26-36(51-28(34)4)30-17-21-32(22-18-30)49-24-14-12-10-8-6-2/h15-22,25-26H,5-14,23-24H2,1-4H3
InChIKey XKKZGZGTRKQMIE-UHFFFAOYSA-N
Molecular Weight 748.927 g/mol
SMILES C1(C(C(c2cc(-c3ccc(cc3)OCCCCCCC)sc2C)=C(C1(F)F)c1cc(-c2ccc(cc2)OCCCCCCC)sc1C)(F)F)(F)F
SPLASH splash10-0002-0610010900-0e837b2970ce8e5fcc89
Source of Spectrum C-124-7899-1
Wiley ID 1700819