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Methyl 4'-chloro-3-hydroxy-2-hexyl-5-(trifluoromethyl)biphenyl-4-carboxylate
SpectraBase Compound ID GtQhgnu3sLO
InChI InChI=1S/C21H22ClF3O3/c1-3-4-5-6-7-15-16(13-8-10-14(22)11-9-13)12-17(21(23,24)25)18(19(15)26)20(27)28-2/h8-12,26H,3-7H2,1-2H3
InChIKey VUXXYZNCENEUHY-UHFFFAOYSA-N
Mol Weight 414.85 g/mol
Molecular Formula C21H22ClF3O3
Exact Mass 414.120957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIjA5wk22Bi
Name Methyl 4'-chloro-3-hydroxy-2-hexyl-5-(trifluoromethyl)biphenyl-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClF3O3
InChI InChI=1S/C21H22ClF3O3/c1-3-4-5-6-7-15-16(13-8-10-14(22)11-9-13)12-17(21(23,24)25)18(19(15)26)20(27)28-2/h8-12,26H,3-7H2,1-2H3
InChIKey VUXXYZNCENEUHY-UHFFFAOYSA-N
Molecular Weight 414.852 g/mol
SMILES Oc1c(c(C(F)(F)F)cc(c1CCCCCC)-c1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-03dj-0029200000-7a3e24d183581c3589cb
Source of Spectrum F-65-2130-5k
Wiley ID 1681727