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2-Chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
SpectraBase Compound ID 8ufz9EHVJGz
InChI InChI=1S/C12H11ClN2O2/c1-8-11(10(16)7-13)12(17)15(14-8)9-5-3-2-4-6-9/h2-6,17H,7H2,1H3
InChIKey KGIGCXKJNIFWPF-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 jVkUo5PKVW
Name 2-Chloro-1-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
Appearance Colorless powder
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/h2-6,17H,7H2,1H3
InChIKey KGIGCXKJNIFWPF-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3015
Molecular Weight 250.685 g/mol
SMILES Oc1c(C(CCl)=O)c(n[n]1-c1ccccc1)C
SPLASH splash10-0udi-3090000000-50c523ddeef5fceffd01
Source of Spectrum Y-55-135-3a
Wiley ID 1878727