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Diethyl (2E,rs)-3-p-tolyl-N-benzoylsulfoximino-2-propenylmalonate

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Diethyl (2E,rs)-3-p-tolyl-N-benzoylsulfoximino-2-propenylmalonate
SpectraBase Compound ID JRfxhU9KMLK
InChI InChI=1S/C24H27NO6S/c1-4-30-23(27)21(24(28)31-5-2)12-9-17-32(29,20-15-13-18(3)14-16-20)25-22(26)19-10-7-6-8-11-19/h6-11,13-17,21H,4-5,12H2,1-3H3/b17-9+/t32-/m0/s1
InChIKey FJRITSVWWHCEHR-PPGCFQOZSA-N
Mol Weight 457.54 g/mol
Molecular Formula C24H27NO6S
Exact Mass 457.155909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HC5f5hbsbK3
Name Diethyl (2E,rs)-3-p-tolyl-N-benzoylsulfoximino-2-propenylmalonate
Comments Computed using HOSE algorithm
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Exact Mass 457.155908761 u
Formula C24H27NO6S
InChI InChI=1S/C24H27NO6S/c1-4-30-23(27)21(24(28)31-5-2)12-9-17-32(29,20-15-13-18(3)14-16-20)25-22(26)19-10-7-6-8-11-19/h6-11,13-17,21H,4-5,12H2,1-3H3/b17-9+/t32-/m0/s1
InChIKey FJRITSVWWHCEHR-PPGCFQOZSA-N
Molecular Weight 457.541 g/mol
SMILES C(N=[S@@](C=1C=CC(=CC1)C)(\C=C\CC(C(=O)OCC)C(=O)OCC)=O)(=O)C1=CC=CC=C1