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Methyl (E)-3-[benzyl(4-methylbenzenesulfonyl)amino]acrylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (E)-3-[benzyl(4-methylbenzenesulfonyl)amino]acrylate
SpectraBase Compound ID L8BKtpR87vX
InChI InChI=1S/C18H19NO4S/c1-15-8-10-17(11-9-15)24(21,22)19(13-12-18(20)23-2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3/b13-12+
InChIKey JKBNDIZIAZXPHZ-OUKQBFOZSA-N
Mol Weight 345.41 g/mol
Molecular Formula C18H19NO4S
Exact Mass 345.103479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Reum4ppn8E
Name Methyl (E)-3-[benzyl(4-methylbenzenesulfonyl)amino]acrylate
Comments Computed using HOSE algorithm
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Exact Mass 345.103479266 u
Formula C18H19NO4S
InChI InChI=1S/C18H19NO4S/c1-15-8-10-17(11-9-15)24(21,22)19(13-12-18(20)23-2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3/b13-12+
InChIKey JKBNDIZIAZXPHZ-OUKQBFOZSA-N
Molecular Weight 345.413 g/mol
SMILES C(\C=C\N(CC1=CC=CC=C1)S(C1=CC=C(C=C1)C)(=O)=O)(OC)=O