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1-piperazinepropanamide, N-(3-bromophenyl)-4-phenyl-
SpectraBase Compound ID JJJ0BT4aZdv
InChI InChI=1S/C19H22BrN3O/c20-16-5-4-6-17(15-16)21-19(24)9-10-22-11-13-23(14-12-22)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,24)
InChIKey SRRFEVJPZKLVDJ-UHFFFAOYSA-N
Mol Weight 388.31 g/mol
Molecular Formula C19H22BrN3O
Exact Mass 387.094625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6o5UUplTsJS
Name 1-Piperazinepropanamide, N-(3-bromophenyl)-4-phenyl-
Comments Computed using HOSE algorithm
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Exact Mass 387.094625339 u
Formula C19H22BrN3O
InChI InChI=1S/C19H22BrN3O/c20-16-5-4-6-17(15-16)21-19(24)9-10-22-11-13-23(14-12-22)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,24)
InChIKey SRRFEVJPZKLVDJ-UHFFFAOYSA-N
Molecular Weight 388.309 g/mol
SMILES N(C(CCN1CCN(CC1)C=1C=CC=CC1)=O)C=1C=C(Br)C=CC1