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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) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXyIOxYUjt
Name 5-OXO-1-PHENYL-2-THIOXO-4-IMIDAZOLIDINEPROPIONIC ACID, BENZYL ESTER
Source of Sample D. J. P. Raulais, University of Paris, Paris, France
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Melting Point 162C
Molecular Weight 354.43
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 4-IMIDAZOLIDINEPROPIONIC ACID, 5-OXO- 1-PHENYL-2-THIOXO-, BENZYL ESTER