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2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}acetic acid
SpectraBase Compound ID 6KDYrR1foGM
InChI InChI=1S/C9H7F3N2O4/c10-9(11,12)5-1-2-6(13-4-8(15)16)7(3-5)14(17)18/h1-3,13H,4H2,(H,15,16)
InChIKey DBPSLLDEGNZGLQ-UHFFFAOYSA-N
Mol Weight 264.16 g/mol
Molecular Formula C9H7F3N2O4
Exact Mass 264.035791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IJQR598BJ7
Name 2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}acetic acid
Alternate Name(s) 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoic acid
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Formula C9H7F3N2O4
InChI InChI=1S/C9H7F3N2O4/c10-9(11,12)5-1-2-6(13-4-8(15)16)7(3-5)14(17)18/h1-3,13H,4H2,(H,15,16)
InChIKey DBPSLLDEGNZGLQ-UHFFFAOYSA-N
Molecular Weight 264.160 g/mol
SMILES N(c1c(cc(C(F)(F)F)cc1)N(=O)=O)CC(O)=O
SPLASH splash10-02t9-6940000000-162b0d02a0b31da6879a
Source of Spectrum IY-2-5141-6
Wiley ID 1659399