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Diethyl (2E,Rs)-3-p-tolyl-N-(methylsulfonyl)sulfoximino-2-propenylmalonate
SpectraBase Compound ID 3ZiEgIOc8FV
InChI InChI=1S/C18H25NO7S2/c1-5-25-17(20)16(18(21)26-6-2)8-7-13-28(24,19-27(4,22)23)15-11-9-14(3)10-12-15/h7,9-13,16H,5-6,8H2,1-4H3/b13-7+/t28-/m0/s1
InChIKey ZZTWSRMZFHEIAN-OWNNABMUSA-N
Mol Weight 431.52 g/mol
Molecular Formula C18H25NO7S2
Exact Mass 431.107244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16IIfWzbzk
Name Diethyl (2E,Rs)-3-p-tolyl-N-(methylsulfonyl)sulfoximino-2-propenylmalonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO7S2
InChI InChI=1S/C18H25NO7S2/c1-5-25-17(20)16(18(21)26-6-2)8-7-13-28(24,19-27(4,22)23)15-11-9-14(3)10-12-15/h7,9-13,16H,5-6,8H2,1-4H3/b13-7+/t28-/m0/s1
InChIKey ZZTWSRMZFHEIAN-OWNNABMUSA-N
Molecular Weight 431.518 g/mol
SMILES c1([S@](=NS(=O)(=O)C)(\C=C\CC(C(=O)OCC)C(=O)OCC)=O)ccc(cc1)C
SPLASH splash10-00kr-0591000000-23581bc310acb18c6ef3
Source of Spectrum QE-8-894-28
Wiley ID 1557226