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4-Benzoyl-3-isopropyl-1-methyl-5-pyrazolone
SpectraBase Compound ID LbSU4VMDNcx
InChI InChI=1S/C14H16N2O2/c1-9(2)12-11(14(18)16(3)15-12)13(17)10-7-5-4-6-8-10/h4-9,15H,1-3H3
InChIKey NJIQZLVVQCZPQD-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoJIalXqi3l
Name 4-Benzoyl-3-isopropyl-1-methyl-5-pyrazolone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c1-9(2)12-11(14(18)16(3)15-12)13(17)10-7-5-4-6-8-10/h4-9,15H,1-3H3
InChIKey NJIQZLVVQCZPQD-UHFFFAOYSA-N
Molecular Weight 244.294 g/mol
SMILES N1N(C(C(=C1C(C)C)C(=O)c1ccccc1)=O)C
SPLASH splash10-054o-3390000000-b1f39b104256086045da
Source of Spectrum Y-28-1839-8
Synonyms 4-Benzoyl-1-methyl-3-isopropyl-5-pyrazolone 4-Benzoyl-5-isopropyl-2-methyl-1,2-dihydro-3H-pyrazol-3-one
Wiley ID 1247173