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2-(4-Nitrophenyl)-2-oxoethyl 4-[(dipropylamino)sulfonyl]benzoate
SpectraBase Compound ID 4pmaXvJccoq
InChI InChI=1S/C21H24N2O7S/c1-3-13-22(14-4-2)31(28,29)19-11-7-17(8-12-19)21(25)30-15-20(24)16-5-9-18(10-6-16)23(26)27/h5-12H,3-4,13-15H2,1-2H3
InChIKey DFSULXPUACWGSZ-UHFFFAOYSA-N
Mol Weight 448.49 g/mol
Molecular Formula C21H24N2O7S
Exact Mass 448.130422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74A88WSXkxi
Name 2-(4-Nitrophenyl)-2-oxoethyl 4-[(dipropylamino)sulfonyl]benzoate
Alternate Name(s) 4-(dipropylsulfamoyl)benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester [2-(4-nitrophenyl)-2-oxoethyl] 4-(dipropylsulfamoyl)benzoate [2-(4-nitrophenyl)-2-oxo-ethyl] 4-(dipropylsulfamoyl)benzoate [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 4-(dipropylsulfamoyl)benzoate
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Formula C21H24N2O7S
InChI InChI=1S/C21H24N2O7S/c1-3-13-22(14-4-2)31(28,29)19-11-7-17(8-12-19)21(25)30-15-20(24)16-5-9-18(10-6-16)23(26)27/h5-12H,3-4,13-15H2,1-2H3
InChIKey DFSULXPUACWGSZ-UHFFFAOYSA-N
Molecular Weight 448.490 g/mol
SMILES CCCN(S(c1ccc(C(OCC(c2ccc(N(=O)=O)cc2)=O)=O)cc1)(=O)=O)CCC
SPLASH splash10-0udl-8900100000-930bcf5dbc67b6d8b81a
Wiley ID 1451759