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4-((1-(2-acetamidophenyl)-5-oxo-2-phenyl-1H-imidazol-4(5H)-ylidene) methyl)phenyl benzoate
SpectraBase Compound ID 2WMv9KIAoWL
InChI InChI=1S/C31H23N3O4/c1-21(35)32-26-14-8-9-15-28(26)34-29(23-10-4-2-5-11-23)33-27(30(34)36)20-22-16-18-25(19-17-22)38-31(37)24-12-6-3-7-13-24/h2-20H,1H3,(H,32,35)
InChIKey LAWAVDTVYAHHJK-UHFFFAOYSA-N
Mol Weight 501.54 g/mol
Molecular Formula C31H23N3O4
Exact Mass 501.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gr48tOXccSt
Name 4-((1-(2-acetamidophenyl)-5-oxo-2-phenyl-1H-imidazol-4(5H)-ylidene) methyl)phenyl benzoate
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H23N3O4
InChI InChI=1S/C31H23N3O4/c1-21(35)32-26-14-8-9-15-28(26)34-29(23-10-4-2-5-11-23)33-27(30(34)36)20-22-16-18-25(19-17-22)38-31(37)24-12-6-3-7-13-24/h2-20H,1H3,(H,32,35)
InChIKey LAWAVDTVYAHHJK-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3139
Molecular Weight 501.542 g/mol
SMILES N(c1ccccc1N1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3)cc2)N=C1c1ccccc1)C(=O)C
SPLASH splash10-0006-9106200000-cba75b70f47709fd0568
Source of Spectrum Y-55-1098-20
Wiley ID 1879141