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N-[1-(3-isopropenylphenyl)-1-methylethyl]-4-(2-pyridinyl)-1-piperazinecarboxamide
SpectraBase Compound ID D77uJVtKPzd
InChI InChI=1S/C22H28N4O/c1-17(2)18-8-7-9-19(16-18)22(3,4)24-21(27)26-14-12-25(13-15-26)20-10-5-6-11-23-20/h5-11,16H,1,12-15H2,2-4H3,(H,24,27)
InChIKey MJMOHJSPVSETBC-UHFFFAOYSA-N
Mol Weight 364.49 g/mol
Molecular Formula C22H28N4O
Exact Mass 364.226312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZyMo9GzBrv
Name N-[1-(3-Isopropenylphenyl)-1-methylethyl]-4-(2-pyridinyl)-1-piperazinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 364.226311537 u
Formula C22H28N4O
InChI InChI=1S/C22H28N4O/c1-17(2)18-8-7-9-19(16-18)22(3,4)24-21(27)26-14-12-25(13-15-26)20-10-5-6-11-23-20/h5-11,16H,1,12-15H2,2-4H3,(H,24,27)
InChIKey MJMOHJSPVSETBC-UHFFFAOYSA-N
Molecular Weight 364.493 g/mol
SMILES N(C(N1CCN(CC1)C1=NC=CC=C1)=O)C(C=1C=C(C(=C)C)C=CC1)(C)C