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Methyl 2-Hydroxy-3-propyl-4-tridecyl-6-(trifluoromethyl)benzoate
SpectraBase Compound ID B1MjGqzXv33
InChI InChI=1S/C25H39F3O3/c1-4-6-7-8-9-10-11-12-13-14-15-17-19-18-21(25(26,27)28)22(24(30)31-3)23(29)20(19)16-5-2/h18,29H,4-17H2,1-3H3
InChIKey SEKDUGMWTHYOBO-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C25H39F3O3
Exact Mass 444.28513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCE4fpl2f1y
Name Methyl 2-Hydroxy-3-propyl-4-tridecyl-6-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39F3O3
InChI InChI=1S/C25H39F3O3/c1-4-6-7-8-9-10-11-12-13-14-15-17-19-18-21(25(26,27)28)22(24(30)31-3)23(29)20(19)16-5-2/h18,29H,4-17H2,1-3H3
InChIKey SEKDUGMWTHYOBO-UHFFFAOYSA-N
Molecular Weight 444.579 g/mol
SMILES Oc1c(c(cc(c1C(=O)OC)C(F)(F)F)CCCCCCCCCCCCC)CCC
SPLASH splash10-08fr-0060900000-f50dc54957822acbf6b2
Source of Spectrum H-96-58-5aj
Wiley ID 1784503