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(S,E)-ETHYL_4-(4-AMINO-1-TERT.-BUTOXY-1,4-DIOXOBUTYN-2-YLAMINO)-4-OXOBUT-2-ENOATE
SpectraBase Compound ID GzhDz9vT5X4
InChI InChI=1S/C14H22N2O6/c1-5-21-12(19)7-6-11(18)16-9(8-10(15)17)13(20)22-14(2,3)4/h6-7,9H,5,8H2,1-4H3,(H2,15,17)(H,16,18)/b7-6+/t9-/m0/s1
InChIKey SWYZTJLCQNKNNL-UCUJLANTSA-N
Mol Weight 314.34 g/mol
Molecular Formula C14H22N2O6
Exact Mass 314.147786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30slTofmJ7v
Name (S,E)-ETHYL_4-(4-AMINO-1-TERT.-BUTOXY-1,4-DIOXOBUTYN-2-YLAMINO)-4-OXOBUT-2-ENOATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H22N2O6
InChI InChI=1S/C14H22N2O6/c1-5-21-12(19)7-6-11(18)16-9(8-10(15)17)13(20)22-14(2,3)4/h6-7,9H,5,8H2,1-4H3,(H2,15,17)(H,16,18)/b7-6+/t9-/m0/s1
InChIKey SWYZTJLCQNKNNL-UCUJLANTSA-N
Literature Reference Author A.BREUNING,B.DEGEL,F.SCHULZ,C.BUECHOLD,M.STEMPKA,U.MACHON,S. HEPPNER,C.GELHAUS,M.
Literature Reference Citation J.MED.CHEM.,53,1951(2010)
Literature Reference DOI 10.1021/jm900946n
Molecular Weight 314.338 g/mol
Solvent CDCl3
Source File Reference UWMZ46488