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4-Benzoyl-1-phenyl-5-methylthio-2-oxo-3-pyrrolin-3-acetic acid
SpectraBase Compound ID 5Q85larpLJ5
InChI InChI=1S/C20H17NO4S/c1-26-20-17(18(24)13-8-4-2-5-9-13)15(12-16(22)23)19(25)21(20)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3,(H,22,23)
InChIKey GAIJJWOMJDFXSO-UHFFFAOYSA-N
Mol Weight 367.42 g/mol
Molecular Formula C20H17NO4S
Exact Mass 367.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LWipTUcrAH
Name 4-Benzoyl-1-phenyl-5-methylthio-2-oxo-3-pyrrolin-3-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO4S
InChI InChI=1S/C20H17NO4S/c1-26-20-17(18(24)13-8-4-2-5-9-13)15(12-16(22)23)19(25)21(20)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3,(H,22,23)
InChIKey GAIJJWOMJDFXSO-UHFFFAOYSA-N
Molecular Weight 367.419 g/mol
SMILES OC(CC=1C(=O)N(C(C1C(=O)c1ccccc1)SC)c1ccccc1)=O
SPLASH splash10-004i-0091000000-8a7e2e800c7e4d3c3a02
Source of Spectrum SO-0-284-3
Synonyms 4-Benzoyl-1-methyl-5-methylthio-2-oxo-3-pyrrolin-3-acetic acid [4-benzoyl-5-(methylsulfanyl)-2-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
Wiley ID 1539867