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Methyl 5-hexyl-4-hydroxy-2,6-dimethyl-3'-(trifluoromethyl)biphenyl-3-carboxylate
SpectraBase Compound ID CA6r3Zuw69a
InChI InChI=1S/C23H27F3O3/c1-5-6-7-8-12-18-14(2)19(15(3)20(21(18)27)22(28)29-4)16-10-9-11-17(13-16)23(24,25)26/h9-11,13,27H,5-8,12H2,1-4H3
InChIKey VHPSYCPMMWDSNC-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 CESWEFZpc2l
Name Methyl 5-hexyl-4-hydroxy-2,6-dimethyl-3'-(trifluoromethyl)biphenyl-3-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27F3O3
InChI InChI=1S/C23H27F3O3/c1-5-6-7-8-12-18-14(2)19(15(3)20(21(18)27)22(28)29-4)16-10-9-11-17(13-16)23(24,25)26/h9-11,13,27H,5-8,12H2,1-4H3
InChIKey VHPSYCPMMWDSNC-UHFFFAOYSA-N
Molecular Weight 408.461 g/mol
SMILES Oc1c(c(c(c(C)c1CCCCCC)-c1cc(C(F)(F)F)ccc1)C)C(=O)OC
SPLASH splash10-0a4i-0009200000-54c9b034cdb340bb315b
Source of Spectrum F-66-3834-6am
Wiley ID 1687580