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ETHYL-3-AMINO-4-CARBAMOYL-2-CYANO-6-HYDROXY-6-PHENYL-2-HEXENOATE-SEMIHYDRATE
SpectraBase Compound ID 7aKX0dnEY5
InChI InChI=1S/2C16H19N3O4/c2*1-2-23-16(22)12(9-17)14(18)11(15(19)21)8-13(20)10-6-4-3-5-7-10/h2*3-7,11,13,20H,2,8,18H2,1H3,(H2,19,21)/b2*14-12-
InChIKey FFULUUBRECKSSQ-APPBQSGCSA-N
Mol Weight 634.69 g/mol
Molecular Formula C32H38N6O8
Exact Mass 634.275112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AiJAdqTxkDL
Name ETHYL-3-AMINO-4-CARBAMOYL-2-CYANO-6-HYDROXY-6-PHENYL-2-HEXENOATE-SEMIHYDRATE
Compound Number 2D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H38N6O8
InChI InChI=1S/2C16H19N3O4/c2*1-2-23-16(22)12(9-17)14(18)11(15(19)21)8-13(20)10-6-4-3-5-7-10/h2*3-7,11,13,20H,2,8,18H2,1H3,(H2,19,21)/b2*14-12-
InChIKey FFULUUBRECKSSQ-APPBQSGCSA-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 634.689 g/mol
Solvent DMSO-D6
Source File Reference UWLU22328