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Benzoic acid, 3-nitro-5-[[[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]amino]carbonyl]-, methyl ester
SpectraBase Compound ID 9PNnLdGF2xK
InChI InChI=1S/C23H16F3N3O6/c1-35-22(32)15-10-14(11-17(12-15)29(33)34)21(31)28-19-5-3-2-4-18(19)27-20(30)13-6-8-16(9-7-13)23(24,25)26/h2-12H,1H3,(H,27,30)(H,28,31)
InChIKey YXLBORUMTADEQP-UHFFFAOYSA-N
Mol Weight 487.39 g/mol
Molecular Formula C23H16F3N3O6
Exact Mass 487.09912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImBXBKLTmgn
Name Benzoic acid, 3-nitro-5-[[[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]amino]carbonyl]-, methyl ester
Alternate Name(s) 3-Nitro-5-[oxo-[2-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]anilino]methyl]benzoic acid methyl ester Methyl 3-nitro-5-[[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]carbamoyl]benzoate Methyl 3-nitro-5-[[2-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]carbamoyl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16F3N3O6
InChI InChI=1S/C23H16F3N3O6/c1-35-22(32)15-10-14(11-17(12-15)29(33)34)21(31)28-19-5-3-2-4-18(19)27-20(30)13-6-8-16(9-7-13)23(24,25)26/h2-12H,1H3,(H,27,30)(H,28,31)
InChIKey YXLBORUMTADEQP-UHFFFAOYSA-N
Molecular Weight 487.391 g/mol
SMILES N(C(=O)c1cc(cc(N(=O)=O)c1)C(=O)OC)c1c(NC(c2ccc(C(F)(F)F)cc2)=O)cccc1
SPLASH splash10-00dm-7930000000-df75c22481d2cbcf7136
Source of Spectrum IY-1-4679-2
Wiley ID 1654775