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DIMETHYL-(E)-2-[(TERT.-BUTYLAMINO)-CARBONYL]-3-[[[(4-METHYLPHENYL)-SULFONYL]-AMINO]-CARBONYL]-2-BUTENEDIOATE
SpectraBase Compound ID DVR7K5zrxEq
InChI InChI=1S/C19H24N2O8S/c1-11-7-9-12(10-8-11)30(26,27)21-16(23)14(18(25)29-6)13(17(24)28-5)15(22)20-19(2,3)4/h7-10H,1-6H3,(H,20,22)(H,21,23)/b14-13+
InChIKey BNTSCWDAROAEOX-BUHFOSPRSA-N
Mol Weight 440.47 g/mol
Molecular Formula C19H24N2O8S
Exact Mass 440.125337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hdT6MgZQEX
Name Dimethyl 2-[(t-butylamino)carbonyl]-3-{[(4'-methylphenylsulfonyl)amino]carbonyl}-2-butenedioate
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Formula C19H24N2O8S
InChI InChI=1S/C19H24N2O8S/c1-11-7-9-12(10-8-11)30(26,27)21-16(23)14(18(25)29-6)13(17(24)28-5)15(22)20-19(2,3)4/h7-10H,1-6H3,(H,20,22)(H,21,23)/b14-13+
InChIKey BNTSCWDAROAEOX-BUHFOSPRSA-N
Molecular Weight 440.467 g/mol
SMILES N(C(\C(=C\(C(NC(C)(C)C)=O)C(=O)OC)C(=O)OC)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9000000000-dbdc9ad33e3771093457
Source of Spectrum AH-139-51-3b
Wiley ID 1696014