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N-[(E)-{[(4-chlorophenyl)sulfonyl]imino}(phenyl)methyl]alanine

View entire compound with spectra: 2 NMR

N-[(E)-{[(4-chlorophenyl)sulfonyl]imino}(phenyl)methyl]alanine
SpectraBase Compound ID GJCA1Jor6Y2
InChI InChI=1S/C16H15ClN2O4S/c1-11(16(20)21)18-15(12-5-3-2-4-6-12)19-24(22,23)14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKey XJJYRBBPLOPBOW-UHFFFAOYSA-N
Mol Weight 366.82 g/mol
Molecular Formula C16H15ClN2O4S
Exact Mass 366.044106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID MCmiE5PRJk
Name N-[(E)-{[(4-chlorophenyl)sulfonyl]imino}(phenyl)methyl]alanine
Comments Computed using HOSE algorithm
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Exact Mass 366.044105841 u
Formula C16H15ClN2O4S
InChI InChI=1S/C16H15ClN2O4S/c1-11(16(20)21)18-15(12-5-3-2-4-6-12)19-24(22,23)14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKey XJJYRBBPLOPBOW-UHFFFAOYSA-N
Molecular Weight 366.819 g/mol
SMILES N(\C(=N\S(C=1C=CC(=CC1)Cl)(=O)=O)C1=CC=CC=C1)C(C(=O)O)C