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3,4-diphenyl-2-hydroxy-5-oxo-3-pyrroline-1-carbothioic acid, S-benzyl ester, acetate
SpectraBase Compound ID Ly0F1w2Yx2f
InChI InChI=1S/C26H21NO4S/c1-18(28)31-25-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)24(29)27(25)26(30)32-17-19-11-5-2-6-12-19/h2-16,25H,17H2,1H3
InChIKey YOLWEQFHRROAGI-UHFFFAOYSA-N
Mol Weight 443.52 g/mol
Molecular Formula C26H21NO4S
Exact Mass 443.119129 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhGMiho4t2K
Name 3,4-diphenyl-2-hydroxy-5-oxo-3-pyrroline-1-carbothioic acid, S-benzyl ester, acetate
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21NO4S
InChI InChI=1S/C26H21NO4S/c1-18(28)31-25-23(21-15-9-4-10-16-21)22(20-13-7-3-8-14-20)24(29)27(25)26(30)32-17-19-11-5-2-6-12-19/h2-16,25H,17H2,1H3
InChIKey YOLWEQFHRROAGI-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 36958M
Solvent CDCl3