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Dimethyl (E)-3-{[(Phenylsulfonyl)amino]carbonyl}-2-(sec-butylamino)but-2-enedioate
SpectraBase Compound ID Hb8nAwGKSDY
InChI InChI=1S/C17H22N2O7S/c1-5-11(2)18-14(17(22)26-4)13(16(21)25-3)15(20)19-27(23,24)12-9-7-6-8-10-12/h6-11,18H,5H2,1-4H3,(H,19,20)/b14-13+
InChIKey KBFWGJZKVBYJEX-BUHFOSPRSA-N
Mol Weight 398.43 g/mol
Molecular Formula C17H22N2O7S
Exact Mass 398.114772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATzLGuDKgLV
Name Dimethyl (E)-3-{[(Phenylsulfonyl)amino]carbonyl}-2-(sec-butylamino)but-2-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O7S
InChI InChI=1S/C17H22N2O7S/c1-5-11(2)18-14(17(22)26-4)13(16(21)25-3)15(20)19-27(23,24)12-9-7-6-8-10-12/h6-11,18H,5H2,1-4H3,(H,19,20)/b14-13+
InChIKey KBFWGJZKVBYJEX-BUHFOSPRSA-N
Molecular Weight 398.430 g/mol
SMILES N(C(\C(=C/(C(=O)OC)NC(CC)C)C(=O)OC)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-004l-9511000000-0e8155607a45620f4cfe
Source of Spectrum F4-40-1751-4f
Wiley ID 1670667