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4-Nitro-4'-[[N-acetyl]carbethoxymethylamino]diphenyl sulfone

View entire compound with spectra: 1 NMR

4-Nitro-4'-[[N-acetyl]carbethoxymethylamino]diphenyl sulfone
SpectraBase Compound ID 23EwA6FELAI
InChI InChI=1S/C18H18N2O7S/c1-3-27-18(22)12-19(13(2)21)14-4-8-16(9-5-14)28(25,26)17-10-6-15(7-11-17)20(23)24/h4-11H,3,12H2,1-2H3
InChIKey RUOHFYBWCZYTGY-UHFFFAOYSA-N
Mol Weight 406.41 g/mol
Molecular Formula C18H18N2O7S
Exact Mass 406.083472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8f6XmbHM50I
Name 4-Nitro-4'-[[N-acetyl]carbethoxymethylamino]diphenyl sulfone
Comments Computed using HOSE algorithm
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Exact Mass 406.083472095 u
Formula C18H18N2O7S
InChI InChI=1S/C18H18N2O7S/c1-3-27-18(22)12-19(13(2)21)14-4-8-16(9-5-14)28(25,26)17-10-6-15(7-11-17)20(23)24/h4-11H,3,12H2,1-2H3
InChIKey RUOHFYBWCZYTGY-UHFFFAOYSA-N
Molecular Weight 406.409 g/mol
SMILES C1=CC(S(=O)(=O)C2=CC=C(C=C2)N(C(=O)C)CC(OCC)=O)=CC=C1N(=O)=O