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4-(2-(phenylcarbonyloxy)-1-oxobutyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
SpectraBase Compound ID G3jarNovWFx
InChI InChI=1S/C22H22N2O4/c1-4-18(28-22(27)16-11-7-5-8-12-16)20(25)19-15(2)23(3)24(21(19)26)17-13-9-6-10-14-17/h5-14,18H,4H2,1-3H3
InChIKey NLGGNEOSGHXVFH-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFWqW9RYSnp
Name 4-(2-(phenylcarbonyloxy)-1-oxobutyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-4-18(28-22(27)16-11-7-5-8-12-16)20(25)19-15(2)23(3)24(21(19)26)17-13-9-6-10-14-17/h5-14,18H,4H2,1-3H3
InChIKey NLGGNEOSGHXVFH-UHFFFAOYSA-N
Molecular Weight 378.428 g/mol
SMILES C=1(C(N(c2ccccc2)N(C1C)C)=O)C(C(OC(=O)c1ccccc1)CC)=O
SPLASH splash10-066r-4290000000-103c2bc7e25c99800033
Source of Spectrum EMC-35-363-5f
Synonyms 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-oxobutan-2-yl benzoate Benzoic acid [1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-oxobutan-2-yl] ester [1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-oxobutan-2-yl] benzoate 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazole-4-carbonyl)propyl benzoate [1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-oxidanylidene-butan-2-yl] benzoate
Wiley ID 1734616