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Pentanoic acid, 5-oxo-5-[[3-(trifluoromethyl)phenyl]amino]-, 4-(1,1-dimethylethyl)cyclohexyl ester
SpectraBase Compound ID GQBpC07vMTs
InChI InChI=1S/C22H30F3NO3/c1-21(2,3)15-10-12-18(13-11-15)29-20(28)9-5-8-19(27)26-17-7-4-6-16(14-17)22(23,24)25/h4,6-7,14-15,18H,5,8-13H2,1-3H3,(H,26,27)
InChIKey QGFXFRVTOROZGR-UHFFFAOYSA-N
Mol Weight 413.48 g/mol
Molecular Formula C22H30F3NO3
Exact Mass 413.217778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fhELKMcMv6
Name Pentanoic acid, 5-oxo-5-[[3-(trifluoromethyl)phenyl]amino]-, 4-(1,1-dimethylethyl)cyclohexyl ester
Alternate Name(s) 5-Oxo-5-[3-(trifluoromethyl)anilino]pentanoic acid (4-tert-butylcyclohexyl) ester (4-tert-butylcyclohexyl) 5-oxo-5-[3-(trifluoromethyl)anilino]pentanoate (4-tert-butylcyclohexyl) 5-oxidanylidene-5-[[3-(trifluoromethyl)phenyl]amino]pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30F3NO3
InChI InChI=1S/C22H30F3NO3/c1-21(2,3)15-10-12-18(13-11-15)29-20(28)9-5-8-19(27)26-17-7-4-6-16(14-17)22(23,24)25/h4,6-7,14-15,18H,5,8-13H2,1-3H3,(H,26,27)
InChIKey QGFXFRVTOROZGR-UHFFFAOYSA-N
Molecular Weight 413.481 g/mol
SMILES N(C(=O)CCCC(OC1CCC(CC1)C(C)(C)C)=O)c1cccc(c1)C(F)(F)F
SPLASH splash10-0apr-9510000000-748e2b9fd95a6f86ea44
Source of Spectrum IY-1-4675-6
Wiley ID 1654739