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2-(4-morpholin-4-yl-3-nitro-phenyl)carbonylbenzoic acid

View entire compound with spectra: 1 MS (GC)

2-(4-morpholin-4-yl-3-nitro-phenyl)carbonylbenzoic acid
SpectraBase Compound ID BZgALgMnBYa
InChI InChI=1S/C18H16N2O6/c21-17(13-3-1-2-4-14(13)18(22)23)12-5-6-15(16(11-12)20(24)25)19-7-9-26-10-8-19/h1-6,11H,7-10H2,(H,22,23)
InChIKey KLRJSIVPZCZZFV-UHFFFAOYSA-N
Mol Weight 356.33 g/mol
Molecular Formula C18H16N2O6
Exact Mass 356.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITjuwdLVtGC
Name 2-(4-morpholin-4-yl-3-nitro-phenyl)carbonylbenzoic acid
Alternate Name(s) 2-(4-morpholino-3-nitro-benzoyl)benzoic acid 2-[4-(4-morpholinyl)-3-nitrobenzoyl]benzoic acid 2-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]benzoic acid
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Formula C18H16N2O6
InChI InChI=1S/C18H16N2O6/c21-17(13-3-1-2-4-14(13)18(22)23)12-5-6-15(16(11-12)20(24)25)19-7-9-26-10-8-19/h1-6,11H,7-10H2,(H,22,23)
InChIKey KLRJSIVPZCZZFV-UHFFFAOYSA-N
Molecular Weight 356.334 g/mol
SMILES OC(c1c(C(c2cc(N(=O)=O)c(N3CCOCC3)cc2)=O)cccc1)=O
SPLASH splash10-0002-2983000000-c002f043cf6617fda7f9
Wiley ID 1450574