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1-[p-Bromophenacyl]-4-[5-phenyl-4-oxo-2-oxazolin-2-yl]piperazine

View entire compound with spectra: 1 NMR, and 1 FTIR

1-[p-Bromophenacyl]-4-[5-phenyl-4-oxo-2-oxazolin-2-yl]piperazine
SpectraBase Compound ID DEZrFghHpge
InChI InChI=1S/C21H20BrN3O3/c22-17-8-6-15(7-9-17)18(26)14-24-10-12-25(13-11-24)21-23-20(27)19(28-21)16-4-2-1-3-5-16/h1-9,19H,10-14H2
InChIKey NNIZTMSDRSRDKW-UHFFFAOYSA-N
Mol Weight 442.31 g/mol
Molecular Formula C21H20BrN3O3
Exact Mass 441.068805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HNLP9Qzp3b
Name 1-[p-Bromophenacyl]-4-[5-phenyl-4-oxo-2-oxazolin-2-yl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.068804513 u
Formula C21H20BrN3O3
InChI InChI=1S/C21H20BrN3O3/c22-17-8-6-15(7-9-17)18(26)14-24-10-12-25(13-11-24)21-23-20(27)19(28-21)16-4-2-1-3-5-16/h1-9,19H,10-14H2
InChIKey NNIZTMSDRSRDKW-UHFFFAOYSA-N
Molecular Weight 442.313 g/mol
SMILES C1N(CCN(C1)CC(C1=CC=C(C=C1)Br)=O)C1=NC(C(C2=CC=CC=C2)O1)=O