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1-piperazinepropanamide, N-(4-bromo-3-methylphenyl)-4-phenyl-

View entire compound with spectra: 2 NMR

1-piperazinepropanamide, N-(4-bromo-3-methylphenyl)-4-phenyl-
SpectraBase Compound ID F64Wqp4yVqj
InChI InChI=1S/C20H24BrN3O/c1-16-15-17(7-8-19(16)21)22-20(25)9-10-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKey KPOJMFKPLOGCCA-UHFFFAOYSA-N
Mol Weight 402.34 g/mol
Molecular Formula C20H24BrN3O
Exact Mass 401.110275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DtmioPpNHPq
Name 1-Piperazinepropanamide, N-(4-bromo-3-methylphenyl)-4-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 401.110275404 u
Formula C20H24BrN3O
InChI InChI=1S/C20H24BrN3O/c1-16-15-17(7-8-19(16)21)22-20(25)9-10-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKey KPOJMFKPLOGCCA-UHFFFAOYSA-N
Molecular Weight 402.336 g/mol
SMILES N(C(CCN1CCN(CC1)C1=CC=CC=C1)=O)C1=CC(C)=C(C=C1)Br