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3H-pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-4-methyl-
SpectraBase Compound ID Dr3fsAmlHQD
InChI InChI=1S/C11H11ClN2O/c1-8-6-14(13-11(8)15)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,15)
InChIKey PCPKPWIYRFZYIM-UHFFFAOYSA-N
Mol Weight 222.67 g/mol
Molecular Formula C11H11ClN2O
Exact Mass 222.055991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oNbzXIUG8
Name 3H-pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-4-methyl-
Alternate Name(s) 1-(4-Chlorobenzyl)-4-methyl-1H-pyrazol-3(2H)-one 1-(4-Chlorobenzyl)-4-methyl-1,2-dihydro-3H-pyrazol-3-one 2-[(4-chlorophenyl)methyl]-4-methyl-1H-pyrazol-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11ClN2O
InChI InChI=1S/C11H11ClN2O/c1-8-6-14(13-11(8)15)7-9-2-4-10(12)5-3-9/h2-6H,7H2,1H3,(H,13,15)
InChIKey PCPKPWIYRFZYIM-UHFFFAOYSA-N
Molecular Weight 222.675 g/mol
SMILES N1C(C(=CN1Cc1ccc(Cl)cc1)C)=O
SPLASH splash10-00di-4790000000-1077159d9422b350010d
Source of Spectrum JX-2015-0-555
Wiley ID 1720481