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4-[2-(p-Bromobenzoyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione

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

4-[2-(p-Bromobenzoyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione
SpectraBase Compound ID 6iCOp9fDAA
InChI InChI=1S/C24H19BrN2O3/c25-18-13-11-17(12-14-18)22(28)16-15-21-23(29)26(19-7-3-1-4-8-19)27(24(21)30)20-9-5-2-6-10-20/h1-14,21H,15-16H2
InChIKey TUSROGVWBUGICT-UHFFFAOYSA-N
Mol Weight 463.33 g/mol
Molecular Formula C24H19BrN2O3
Exact Mass 462.057905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7tXSfW82Gd
Name 4-[2-(p-Bromobenzoyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.057905477 u
Formula C24H19BrN2O3
InChI InChI=1S/C24H19BrN2O3/c25-18-13-11-17(12-14-18)22(28)16-15-21-23(29)26(19-7-3-1-4-8-19)27(24(21)30)20-9-5-2-6-10-20/h1-14,21H,15-16H2
InChIKey TUSROGVWBUGICT-UHFFFAOYSA-N
Molecular Weight 463.331 g/mol
SMILES C=1C(=CC=CC1)N1N(C(C(C1=O)CCC(C=1C=CC(=CC1)Br)=O)=O)C=1C=CC=CC1