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3-Methyl-2-[(4-methylphenyl)methyl]-4-oxidanylidene-4-[[4-(trifluoromethyloxy)phenyl]amino]butanoic acid
SpectraBase Compound ID 31i6B1DZ8p6
InChI InChI=1S/C20H20F3NO4/c1-12-3-5-14(6-4-12)11-17(19(26)27)13(2)18(25)24-15-7-9-16(10-8-15)28-20(21,22)23/h3-10,13,17H,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKey OYVULLCLSGTBMB-UHFFFAOYSA-N
Mol Weight 395.38 g/mol
Molecular Formula C20H20F3NO4
Exact Mass 395.134443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ac1fKV0yG
Name 3-Methyl-2-[(4-methylphenyl)methyl]-4-oxidanylidene-4-[[4-(trifluoromethyloxy)phenyl]amino]butanoic acid
Alternate Name(s) 3-Methyl-2-[(4-methylphenyl)methyl]-4-oxo-4-[4-(trifluoromethoxy)anilino]butanoic acid 3-Methyl-4-oxo-2-(p-tolylmethyl)-4-[4-(trifluoromethoxy)anilino]butanoic acid 4-keto-3-methyl-2-(4-methylbenzyl)-4-[4-(trifluoromethoxy)anilino]butyric acid
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Formula C20H20F3NO4
InChI InChI=1S/C20H20F3NO4/c1-12-3-5-14(6-4-12)11-17(19(26)27)13(2)18(25)24-15-7-9-16(10-8-15)28-20(21,22)23/h3-10,13,17H,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKey OYVULLCLSGTBMB-UHFFFAOYSA-N
Molecular Weight 395.378 g/mol
SMILES OC(C(C(C(Nc1ccc(OC(F)(F)F)cc1)=O)C)Cc1ccc(cc1)C)=O
SPLASH splash10-0a5c-8930000000-444c9341a93c21441eb8
Wiley ID 1445410