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3-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-1-(hydroxymethyl)-5-phenyl-1H-pyrrol-2(3H)-one
SpectraBase Compound ID JLquVbpkjDR
InChI InChI=1S/C27H21N3O2/c31-19-29-25(20-10-4-1-5-11-20)17-22(27(29)32)16-23-18-30(24-14-8-3-9-15-24)28-26(23)21-12-6-2-7-13-21/h1-18,31H,19H2
InChIKey LCFLYMRLFQJTMD-UHFFFAOYSA-N
Mol Weight 419.48 g/mol
Molecular Formula C27H21N3O2
Exact Mass 419.163377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbSpKKSS0aC
Name 3-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-1-(hydroxymethyl)-5-phenyl-1H-pyrrol-2(3H)-one
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3O2
InChI InChI=1S/C27H21N3O2/c31-19-29-25(20-10-4-1-5-11-20)17-22(27(29)32)16-23-18-30(24-14-8-3-9-15-24)28-26(23)21-12-6-2-7-13-21/h1-18,31H,19H2
InChIKey LCFLYMRLFQJTMD-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2456
Molecular Weight 419.484 g/mol
SMILES OCN1C(C(=Cc2c(-c3ccccc3)n[n](c2)-c2ccccc2)C=C1c1ccccc1)=O
SPLASH splash10-0691-9237700000-54f528cac63293091fb9
Source of Spectrum Y-53-1515-3a
Wiley ID 1876621