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3-methyl-3-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]butan-2-one
SpectraBase Compound ID 6n4imrvFDwI
InChI InChI=1S/C21H22N2O/c1-15-10-12-17(13-11-15)19-14-20(21(3,4)16(2)24)23(22-19)18-8-6-5-7-9-18/h5-14H,1-4H3
InChIKey LNSHGWDVQHQBFV-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C21H22N2O
Exact Mass 318.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2IV7Xljs3n
Name 3-methyl-3-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]butan-2-one
Alternate Name(s) 3-methyl-3-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-2-butanone 3-methyl-3-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]butan-2-one
CAS Registry Number 110606-87-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O
InChI InChI=1S/C21H22N2O/c1-15-10-12-17(13-11-15)19-14-20(21(3,4)16(2)24)23(22-19)18-8-6-5-7-9-18/h5-14H,1-4H3
InChIKey LNSHGWDVQHQBFV-UHFFFAOYSA-N
Molecular Weight 318.420 g/mol
SMILES c1([n](nc(c1)-c1ccc(cc1)C)-c1ccccc1)C(C(=O)C)(C)C
SPLASH splash10-004i-0092000000-875f3025762b414aa93c
Source of Spectrum Y-24-312-6
Wiley ID 1318911