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

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

Diethyl (2E,rs)-3-p-tolyl-N-(methoxyphenylacetyl)sulfoximino-2-propenylmalonate
SpectraBase Compound ID KhQEpq2yIFb
InChI InChI=1S/C26H31NO7S/c1-5-33-25(29)23(26(30)34-6-2)8-7-17-35(31,22-15-9-19(3)10-16-22)27-24(28)18-20-11-13-21(32-4)14-12-20/h7,9-17,23H,5-6,8,18H2,1-4H3/b17-7+/t35-/m0/s1
InChIKey JDLKLCONMYKXCQ-JOLXROHTSA-N
Mol Weight 501.59 g/mol
Molecular Formula C26H31NO7S
Exact Mass 501.182124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcuOnEoS141
Name Diethyl (2E,rs)-3-p-tolyl-N-(methoxyphenylacetyl)sulfoximino-2-propenylmalonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.182123509 u
Formula C26H31NO7S
InChI InChI=1S/C26H31NO7S/c1-5-33-25(29)23(26(30)34-6-2)8-7-17-35(31,22-15-9-19(3)10-16-22)27-24(28)18-20-11-13-21(32-4)14-12-20/h7,9-17,23H,5-6,8,18H2,1-4H3/b17-7+/t35-/m0/s1
InChIKey JDLKLCONMYKXCQ-JOLXROHTSA-N
Molecular Weight 501.594 g/mol
SMILES C(N=[S@@](C1=CC=C(C=C1)C)(\C=C\CC(C(=O)OCC)C(=O)OCC)=O)(=O)CC1=CC=C(C=C1)OC