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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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2qVoYQC4KiF
Name 3,4-DIPHENYL-2-HYDROXY-5-OXO-3-PYRROLINE-1-CARBOTHIOIC ACID, S-BENZYL ESTER, ACETATE
Source of Sample K. Yakushijin, Meijo University, Nagoya, Japan
Copyright Copyright © 1980, 1981-2024 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
Literature Reference CHEM. PHARM. BULL. TOKYO 28, 2178(1980) Abstract-Chemical Abstracts= 95, 24691(1981)
Melting Point 141-142C
Molecular Weight 443.516998
Synonyms 3-PYRROLINE-1-CARBOTHIOIC ACID, 3,4-DIPHENYL-2-HYDROXY-5-OXO-, S-BENZYL ESTER, ACETATE
Technique KBr WAFER