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4-n-Octoxybiphen-4'-yl-2,3,4-trifluorobenzoate
SpectraBase Compound ID 8vZyxo9u1XT
InChI InChI=1S/C27H27F3O3/c1-2-3-4-5-6-7-18-32-21-12-8-19(9-13-21)20-10-14-22(15-11-20)33-27(31)23-16-17-24(28)26(30)25(23)29/h8-17H,2-7,18H2,1H3
InChIKey QCPGCUOFNHXGHF-UHFFFAOYSA-N
Mol Weight 456.51 g/mol
Molecular Formula C27H27F3O3
Exact Mass 456.191229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7S5Y6gIZGNa
Name 4-n-Octoxybiphen-4'-yl-2,3,4-trifluorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27F3O3
InChI InChI=1S/C27H27F3O3/c1-2-3-4-5-6-7-18-32-21-12-8-19(9-13-21)20-10-14-22(15-11-20)33-27(31)23-16-17-24(28)26(30)25(23)29/h8-17H,2-7,18H2,1H3
InChIKey QCPGCUOFNHXGHF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.19990170110
Molecular Weight 456.505 g/mol
SMILES c1(F)c(C(Oc2ccc(-c3ccc(cc3)OCCCCCCCC)cc2)=O)ccc(c1F)F
SPLASH splash10-0a4l-3005900000-f07b37a871d2f416d92f
Source of Spectrum CJC-17-72-o_3FCBP8
Synonyms 4'-(octyloxy)-[1,1'-biphenyl]-4-yl 2,3,4-trifluorobenzoate
Wiley ID 1773390