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Benzenebutanoic acid, .alpha.,3,5-trimethyl-.beta.-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-
SpectraBase Compound ID 5TcEE91d210
InChI InChI=1S/C21H22F3NO4/c1-12-8-13(2)10-15(9-12)11-18(14(3)20(27)28)19(26)25-16-4-6-17(7-5-16)29-21(22,23)24/h4-10,14,18H,11H2,1-3H3,(H,25,26)(H,27,28)
InChIKey LCZLECYRVQXITQ-UHFFFAOYSA-N
Mol Weight 409.41 g/mol
Molecular Formula C21H22F3NO4
Exact Mass 409.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RpLfQipmgv
Name Benzenebutanoic acid, .alpha.,3,5-trimethyl-.beta.-[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]-
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Formula C21H22F3NO4
InChI InChI=1S/C21H22F3NO4/c1-12-8-13(2)10-15(9-12)11-18(14(3)20(27)28)19(26)25-16-4-6-17(7-5-16)29-21(22,23)24/h4-10,14,18H,11H2,1-3H3,(H,25,26)(H,27,28)
InChIKey LCZLECYRVQXITQ-UHFFFAOYSA-N
Molecular Weight 409.405 g/mol
SMILES N(c1ccc(cc1)OC(F)(F)F)C(C(C(C(O)=O)C)Cc1cc(cc(c1)C)C)=O
SPLASH splash10-00or-2901000000-0b89664ffc361b0f281f
Source of Spectrum IY-1-4669-9
Synonyms 3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxo-4-[4-(trifluoromethoxy)anilino]butanoic acid 3-[(3,5-dimethylphenyl)methyl]-2-methyl-4-oxidanylidene-4-[[4-(trifluoromethyloxy)phenyl]amino]butanoic acid
Wiley ID 1654682