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3,4,5-Trifluoro-2'-fluoro-2''-fluoro-3''-propyl-4''-(4-n-butylphenylethynyl)-p-terphenyl
SpectraBase Compound ID Gpws9aMSTlF
InChI InChI=1S/C33H27F5/c1-3-5-7-21-8-10-22(11-9-21)12-13-23-14-17-28(32(37)27(23)6-4-2)24-15-16-26(29(34)18-24)25-19-30(35)33(38)31(36)20-25/h8-11,14-20H,3-7H2,1-2H3
InChIKey QANDTVMVNZQIMC-UHFFFAOYSA-N
Mol Weight 518.6 g/mol
Molecular Formula C33H27F5
Exact Mass 518.203292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Vkjjaf2ifw
Name 3,4,5-Trifluoro-2'-fluoro-2''-fluoro-3''-propyl-4''-(4-n-butylphenylethynyl)-p-terphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H27F5
InChI InChI=1S/C33H27F5/c1-3-5-7-21-8-10-22(11-9-21)12-13-23-14-17-28(32(37)27(23)6-4-2)24-15-16-26(29(34)18-24)25-19-30(35)33(38)31(36)20-25/h8-11,14-20H,3-7H2,1-2H3
InChIKey QANDTVMVNZQIMC-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 518.571 g/mol
SMILES c1(c(CCC)c(c(-c2cc(c(-c3cc(F)c(c(c3)F)F)cc2)F)cc1)F)C#Cc1ccc(CCCC)cc1
SPLASH splash10-014i-0000690000-c224ab0bf0360e1aad70
Source of Spectrum CN103429705A
Wiley ID 1847556