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Methyl 3-hydroxy-2-octyl-5-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate
SpectraBase Compound ID Aq6EfdRySHd
InChI InChI=1S/C23H27F3O3/c1-3-4-5-6-7-11-14-17-18(16-12-9-8-10-13-16)15-19(23(24,25)26)20(21(17)27)22(28)29-2/h8-10,12-13,15,27H,3-7,11,14H2,1-2H3
InChIKey OCELMDWNZXAWBI-UHFFFAOYSA-N
Mol Weight 408.46 g/mol
Molecular Formula C23H27F3O3
Exact Mass 408.191229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hsRQiCOqGZ
Name Methyl 3-hydroxy-2-octyl-5-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27F3O3
InChI InChI=1S/C23H27F3O3/c1-3-4-5-6-7-11-14-17-18(16-12-9-8-10-13-16)15-19(23(24,25)26)20(21(17)27)22(28)29-2/h8-10,12-13,15,27H,3-7,11,14H2,1-2H3
InChIKey OCELMDWNZXAWBI-UHFFFAOYSA-N
Molecular Weight 408.461 g/mol
SMILES Oc1c(c(C(F)(F)F)cc(c1CCCCCCCC)-c1ccccc1)C(=O)OC
SPLASH splash10-056r-0193300000-f78a74f170a19d9cbd9f
Source of Spectrum F-65-2128-5e
Wiley ID 1681733