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1,2-Diphenyl-4-[(2-oxocyclohexyl)methyl]-3,5-pyrazolidinedione

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

1,2-Diphenyl-4-[(2-oxocyclohexyl)methyl]-3,5-pyrazolidinedione
SpectraBase Compound ID 3ViPfU8Ln1O
InChI InChI=1S/C22H22N2O3/c25-20-14-8-7-9-16(20)15-19-21(26)23(17-10-3-1-4-11-17)24(22(19)27)18-12-5-2-6-13-18/h1-6,10-13,16,19H,7-9,14-15H2
InChIKey UBBMZVFBDSJNQA-UHFFFAOYSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9BBiYkhkOW
Name 1,2-Diphenyl-4-[(2-oxocyclohexyl)methyl]-3,5-pyrazolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.163042573 u
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c25-20-14-8-7-9-16(20)15-19-21(26)23(17-10-3-1-4-11-17)24(22(19)27)18-12-5-2-6-13-18/h1-6,10-13,16,19H,7-9,14-15H2
InChIKey UBBMZVFBDSJNQA-UHFFFAOYSA-N
Molecular Weight 362.429 g/mol
SMILES C1=CC(=CC=C1)N1N(C(C(C1=O)CC1C(CCCC1)=O)=O)C=1C=CC=CC1