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1-(Chloromethyl)-3-((3-diphenyl-1H-pyrazol-4-yl)methylene)-5-phenyl-1H-pyrrol-2(3H)-one
SpectraBase Compound ID GPqCMKJlEVv
InChI InChI=1S/C27H20ClN3O/c28-19-30-25(20-10-4-1-5-11-20)17-22(27(30)32)16-23-18-31(24-14-8-3-9-15-24)29-26(23)21-12-6-2-7-13-21/h1-18H,19H2
InChIKey JUYNFMZICALYCH-UHFFFAOYSA-N
Mol Weight 437.93 g/mol
Molecular Formula C27H20ClN3O
Exact Mass 437.12949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XHj6nmKfk8
Name 1-(Chloromethyl)-3-((3-diphenyl-1H-pyrazol-4-yl)methylene)-5-phenyl-1H-pyrrol-2(3H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20ClN3O
InChI InChI=1S/C27H20ClN3O/c28-19-30-25(20-10-4-1-5-11-20)17-22(27(30)32)16-23-18-31(24-14-8-3-9-15-24)29-26(23)21-12-6-2-7-13-21/h1-18H,19H2
InChIKey JUYNFMZICALYCH-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2456
Molecular Weight 437.930 g/mol
SMILES C(Cl)N1C(C(C=C1c1ccccc1)=Cc1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O
SPLASH splash10-0a4r-3902200000-1e7044defbde38ae6300
Source of Spectrum Y-53-1516-4a
Wiley ID 1876623