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METHYL-3-AMINO-4-CARBAMOYL-2-CYANO-6-HYDROXY-6-PHENYL-2-HEXENOATE
SpectraBase Compound ID DjXz7YgLsDm
InChI InChI=1S/2C15H17N3O4.C3H6O/c2*1-22-15(21)11(8-16)13(17)10(14(18)20)7-12(19)9-5-3-2-4-6-9;1-3(2)4/h2*2-6,10,12,19H,7,17H2,1H3,(H2,18,20);1-2H3/b2*13-11-;
InChIKey CYFQOAUGKYFQAA-COWOXKNHSA-N
Mol Weight 664.72 g/mol
Molecular Formula C33H40N6O9
Exact Mass 664.285677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LGyMObFQR3
Name METHYL-3-AMINO-4-CARBAMOYL-2-CYANO-6-HYDROXY-6-PHENYL-2-HEXENOATE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40N6O9
InChI InChI=1S/2C15H17N3O4.C3H6O/c2*1-22-15(21)11(8-16)13(17)10(14(18)20)7-12(19)9-5-3-2-4-6-9;1-3(2)4/h2*2-6,10,12,19H,7,17H2,1H3,(H2,18,20);1-2H3/b2*13-11-;
InChIKey CYFQOAUGKYFQAA-COWOXKNHSA-N
Literature Reference Author F.OKABE,Y.TAGAWA,K.YAMAGATA
Literature Reference Citation J.HETCYCL.CHEM.,41,505(2004)
Literature Reference DOI 10.1002/jhet.5570410405
Molecular Weight 664.715 g/mol
Solvent DMSO-D6
Source File Reference UWLU22327