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DIMETHYL-(E)-2-[(TERT.-BUTYLAMINO)-CARBONYL]-3-[[[(PHENYL)-SULFONYL]-AMINO]-CARBONYL]-2-BUTENEDIOATE
SpectraBase Compound ID L5o3PQ0EkQs
InChI InChI=1S/C18H22N2O8S/c1-18(2,3)19-14(21)12(16(23)27-4)13(17(24)28-5)15(22)20-29(25,26)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,19,21)(H,20,22)/b13-12+
InChIKey KQDQAKFVCGYNEI-OUKQBFOZSA-N
Mol Weight 426.44 g/mol
Molecular Formula C18H22N2O8S
Exact Mass 426.109687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHTOKBQPNF0
Name Dimethyl 2-[(t-butylamino)carbonyl]-3-{[(phenylsulfonyl)amino]carbonyl}-2-butenedioate
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Formula C18H22N2O8S
InChI InChI=1S/C18H22N2O8S/c1-18(2,3)19-14(21)12(16(23)27-4)13(17(24)28-5)15(22)20-29(25,26)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,19,21)(H,20,22)/b13-12+
InChIKey KQDQAKFVCGYNEI-OUKQBFOZSA-N
Molecular Weight 426.440 g/mol
SMILES N(C(\C(=C\(C(NC(C)(C)C)=O)C(=O)OC)C(=O)OC)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-002f-9320000000-5b4829a6042b464450d9
Source of Spectrum AH-139-51-3a
Wiley ID 1696015