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Piperazine, 1-[(5-bromo-3-pyridinyl)carbonyl]-4-(phenylmethyl)-
SpectraBase Compound ID HkhOSJIBZiv
InChI InChI=1S/C17H18BrN3O/c18-16-10-15(11-19-12-16)17(22)21-8-6-20(7-9-21)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2
InChIKey RFYSOVQOHGBFCG-UHFFFAOYSA-N
Mol Weight 360.26 g/mol
Molecular Formula C17H18BrN3O
Exact Mass 359.063325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kthUkuEmBR
Name Piperazine, 1-[(5-bromo-3-pyridinyl)carbonyl]-4-(phenylmethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 359.063325211 u
Formula C17H18BrN3O
InChI InChI=1S/C17H18BrN3O/c18-16-10-15(11-19-12-16)17(22)21-8-6-20(7-9-21)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2
InChIKey RFYSOVQOHGBFCG-UHFFFAOYSA-N
Molecular Weight 360.255 g/mol
SMILES C(C=1C=C(Br)C=NC1)(N1CCN(CC1)CC=1C=CC=CC1)=O