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1-(1-methylpyrazol-3-yl)-3-(o-tolyl)propan-1-one
SpectraBase Compound ID 7eByXFQOBQH
InChI InChI=1S/C14H16N2O/c1-11-5-3-4-6-12(11)7-8-14(17)13-9-10-16(2)15-13/h3-6,9-10H,7-8H2,1-2H3
InChIKey ISJKKAPDPFOHBG-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C14H16N2O
Exact Mass 228.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbMbxw4ZlZt
Name 1-(1-methylpyrazol-3-yl)-3-(o-tolyl)propan-1-one
Alternate Name(s) 3-(2-methylphenyl)-1-(1-methyl-3-pyrazolyl)-1-propanone 3-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)propan-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H16N2O
InChI InChI=1S/C14H16N2O/c1-11-5-3-4-6-12(11)7-8-14(17)13-9-10-16(2)15-13/h3-6,9-10H,7-8H2,1-2H3
InChIKey ISJKKAPDPFOHBG-UHFFFAOYSA-N
Molecular Weight 228.295 g/mol
SMILES C(CCc1c(cccc1)C)(=O)c1n[n](cc1)C
SPLASH splash10-03di-0090000000-c1476d0528b36d379d5c
Source of Spectrum J-65-4047-45
Wiley ID 1532473