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3-(4-CHLOROPHENYL)-1H-PYRAZOL-5(4H)-ONE
SpectraBase Compound ID 5LcGnoIBLzy
InChI InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-5H,(H2,11,12,13)
InChIKey XZMSVZSBWKIRSP-UHFFFAOYSA-N
Mol Weight 194.62 g/mol
Molecular Formula C9H7ClN2O
Exact Mass 194.024691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KlfNzJOar7q
Name 5-(4-Chlorophenyl)-1,2-dihydropyrazole-3-one
Alternate Name(s) 5-(4-Chloro-phenyl)-2H-pyrazol-3-ol 3-(4-Chlorophenyl)-1H-pyrazol-5-ol 5-(4-Chlorophenyl)-1,2-dihydropyrazol-3-one 5-(4-chlorophenyl)-3-pyrazolin-3-one
CAS Registry Number 22511-02-0
Comments Less than 3 mono-isotopic peaks
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Formula C9H7ClN2O
InChI InChI=1S/C9H7ClN2O/c10-7-3-1-6(2-4-7)8-5-9(13)12-11-8/h1-5H,(H2,11,12,13)
InChIKey XZMSVZSBWKIRSP-UHFFFAOYSA-N
Molecular Weight 194.621 g/mol
SMILES N1NC(C=C1c1ccc(cc1)Cl)=O
SPLASH splash10-0002-0900000000-57af1cb30830f402fb6e
Source of Spectrum F2-44-4630-3d
Wiley ID 1705857