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Dimethyl (E)-3-{[(Phenylsulfonyl)amino]carbonyl}-2-(isobutylamino)but-2-enedioate
SpectraBase Compound ID 71FQIAa0Fri
InChI InChI=1S/C17H22N2O7S/c1-11(2)10-18-14(17(22)26-4)13(16(21)25-3)15(20)19-27(23,24)12-8-6-5-7-9-12/h5-9,11,18H,10H2,1-4H3,(H,19,20)/b14-13+
InChIKey UJUOOZPIYQQIGB-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 JiGOjYHAWMZ
Name Dimethyl (E)-3-{[(Phenylsulfonyl)amino]carbonyl}-2-(isobutylamino)but-2-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O7S
InChI InChI=1S/C17H22N2O7S/c1-11(2)10-18-14(17(22)26-4)13(16(21)25-3)15(20)19-27(23,24)12-8-6-5-7-9-12/h5-9,11,18H,10H2,1-4H3,(H,19,20)/b14-13+
InChIKey UJUOOZPIYQQIGB-BUHFOSPRSA-N
Molecular Weight 398.430 g/mol
SMILES N(C(\C(=C/(NCC(C)C)C(=O)OC)C(=O)OC)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-004l-9621000000-e6005e11fdaee3cb29b3
Source of Spectrum F4-40-1751-4e
Wiley ID 1670668