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4-[4-(4-Nitro-benzoyl)-benzoylamino]-benzoic acid

View entire compound with spectra: 1 MS (GC)

4-[4-(4-Nitro-benzoyl)-benzoylamino]-benzoic acid
SpectraBase Compound ID 3rFNy1o3NBX
InChI InChI=1S/C21H15N3O6/c25-19(23-17-9-3-15(4-10-17)21(27)28)13-1-7-16(8-2-13)22-20(26)14-5-11-18(12-6-14)24(29)30/h1-12H,(H,22,26)(H,23,25)(H,27,28)
InChIKey DAQMATGBHCJSIE-UHFFFAOYSA-N
Mol Weight 405.37 g/mol
Molecular Formula C21H15N3O6
Exact Mass 405.096085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G17oxOcrIu9
Name 4-[4-(4-Nitro-benzoyl)-benzoylamino]-benzoic acid
Alternate Name(s) 4-[4-(4-Nitro-benzoyl)-benzoylamino]-benzoic acid
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Formula C21H15N3O6
InChI InChI=1S/C21H15N3O6/c25-19(23-17-9-3-15(4-10-17)21(27)28)13-1-7-16(8-2-13)22-20(26)14-5-11-18(12-6-14)24(29)30/h1-12H,(H,22,26)(H,23,25)(H,27,28)
InChIKey DAQMATGBHCJSIE-UHFFFAOYSA-N
Molecular Weight 405.366 g/mol
SMILES N(C(c1ccc([N+]([O-])=O)cc1)=O)c1ccc(C(Nc2ccc(C(=O)O)cc2)=O)cc1
SPLASH splash10-014i-1490000000-b6257d2395bb2b3c7146
Source of Spectrum C3-24-44-30
Wiley ID 879815