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1-(4-chlorophenyl)-5-ethanoyl-pyrazole-3-carbonitrile
SpectraBase Compound ID 9TwzFpyHGpB
InChI InChI=1S/C12H8ClN3O/c1-8(17)12-6-10(7-14)15-16(12)11-4-2-9(13)3-5-11/h2-6H,1H3
InChIKey MYVXROAUPCYGMG-UHFFFAOYSA-N
Mol Weight 245.67 g/mol
Molecular Formula C12H8ClN3O
Exact Mass 245.03559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3eTKHO0fpT
Name 1-(4-chlorophenyl)-5-ethanoyl-pyrazole-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H8ClN3O
InChI InChI=1S/C12H8ClN3O/c1-8(17)12-6-10(7-14)15-16(12)11-4-2-9(13)3-5-11/h2-6H,1H3
InChIKey MYVXROAUPCYGMG-UHFFFAOYSA-N
Molecular Weight 245.669 g/mol
SMILES c1(n[n](c(c1)C(=O)C)-c1ccc(cc1)Cl)C#N
SPLASH splash10-001j-0090000000-bc4d8ae625029ada5f99
Source of Spectrum AJ-42-785-13
Synonyms 5-acetyl-1-(4-chlorophenyl)-3-pyrazolecarbonitrile 5-acetyl-1-(4-chlorophenyl)pyrazole-3-carbonitrile
Wiley ID 1567948