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4-(Chloroacetyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID I5GJzICZoz9
InChI InChI=1S/C12H11ClN2O2/c1-8-11(10(16)7-13)12(17)15(14-8)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
InChIKey MMGZNWNWGPMYQA-UHFFFAOYSA-N
Mol Weight 250.68 g/mol
Molecular Formula C12H11ClN2O2
Exact Mass 250.050905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QqhorQTqfy
Name 4-(Chloroacetyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CAS Registry Number 31197-05-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClN2O2
InChI InChI=1S/C12H11ClN2O2/c1-8-11(10(16)7-13)12(17)15(14-8)9-5-3-2-4-6-9/h2-6,11H,7H2,1H3
InChIKey MMGZNWNWGPMYQA-UHFFFAOYSA-N
Molecular Weight 250.685 g/mol
SMILES c1ccc(cc1)N1C(C(C(C)=N1)C(CCl)=O)=O
SPLASH splash10-0udi-9370000000-9bcbb336449f37dcc508
Source of Spectrum W5-1989-36603-28933
Synonyms 4-(2-Chloranylethanoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one 4-(2-Chloro-1-oxoethyl)-5-methyl-2-phenyl-4H-pyrazol-3-one 4-(2-Chloroacetyl)-5-methyl-2-phenyl-2-pyrazolin-3-one 4-(2-Chloroacetyl)-5-methyl-2-phenyl-4H-pyrazol-3-one 4-Chloroacetyl-3-methyl-1-phenyl-2-pyrazolin-5-one
Wiley ID 1252917