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5-oxo-1-phenyl-2-thioxo-4-imidazolidinepropionic acid, benzyl ester
SpectraBase Compound ID BeT6VOBEBAA
InChI InChI=1S/C19H18N2O3S/c22-17(24-13-14-7-3-1-4-8-14)12-11-16-18(23)21(19(25)20-16)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,25)
InChIKey QPPFZTOXINKVKQ-UHFFFAOYSA-N
Mol Weight 354.42 g/mol
Molecular Formula C19H18N2O3S
Exact Mass 354.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65fO10dYVPr
Name BENZYL-3-(5-OXO-1-PHENYL-2-THIOXO-IMIDAZOLIDIN-4-YL)-PROPANOATE
Compound Number 9C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18N2O3S
InChI InChI=1S/C19H18N2O3S/c22-17(24-13-14-7-3-1-4-8-14)12-11-16-18(23)21(19(25)20-16)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,25)
InChIKey QPPFZTOXINKVKQ-UHFFFAOYSA-N
Literature Reference Author N.DIELTIENS,D.D.CLAEYS,V.V.ZHDANKIN,V.N.NEMYKIN,B.ALLAERT,F. VERPOORT,C.V.STEVENS
Literature Reference Citation EUR.J.ORG.CHEM.,2649(2006)
Molecular Weight 354.424 g/mol
Sample ID 43581
Solvent CDCl3