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p-(N-Acetylsulfanilyl)carbanilic acid, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

p-(N-Acetylsulfanilyl)carbanilic acid, ethyl ester
SpectraBase Compound ID IpsSHkZEv6Y
InChI InChI=1S/C17H18N2O5S/c1-3-24-17(21)19-14-6-10-16(11-7-14)25(22,23)15-8-4-13(5-9-15)18-12(2)20/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKey AINSSSWEBDOHEM-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C17H18N2O5S
Exact Mass 362.093643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2skMfTWno76
Name p-(N-Acetylsulfanilyl)carbanilic acid, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.093642857 u
Formula C17H18N2O5S
InChI InChI=1S/C17H18N2O5S/c1-3-24-17(21)19-14-6-10-16(11-7-14)25(22,23)15-8-4-13(5-9-15)18-12(2)20/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKey AINSSSWEBDOHEM-UHFFFAOYSA-N
Molecular Weight 362.400 g/mol
SMILES N(C(C)=O)C1=CC=C(S(C2=CC=C(NC(=O)OCC)C=C2)(=O)=O)C=C1