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4-(2-(Phenylcarbonyloxy)-1-oxobutyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VifhXU2EGE
Name 4-(2-(Phenylcarbonyloxy)-1-oxobutyl)-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.157957192 u
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(C=2C=CC=CC2)N(C1C)C)=O)C(C(OC(=O)C1=CC=CC=C1)CC)=O