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4-(4-methylbenzyl)-N-[(E,2E)-2-methyl-3-phenyl-2-propenylidene]-1-piperazinamine
SpectraBase Compound ID EgGpkGBTCxI
InChI InChI=1S/C22H27N3/c1-19-8-10-22(11-9-19)18-24-12-14-25(15-13-24)23-17-20(2)16-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3/b20-16+,23-17+
InChIKey UOHOVYKBZWJONO-HLWNQAFMSA-N
Mol Weight 333.48 g/mol
Molecular Formula C22H27N3
Exact Mass 333.220498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JK9IPGnJHw7
Name 4-(4-Methylbenzyl)-N-[(E,2E)-2-methyl-3-phenyl-2-propenylidene]-1-piperazinamine
Comments Computed using HOSE algorithm
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Exact Mass 333.220497881 u
Formula C22H27N3
InChI InChI=1S/C22H27N3/c1-19-8-10-22(11-9-19)18-24-12-14-25(15-13-24)23-17-20(2)16-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3/b20-16+,23-17+
InChIKey UOHOVYKBZWJONO-HLWNQAFMSA-N
Molecular Weight 333.479 g/mol
SMILES C=1C=CC(\C=C\(\C=N\N2CCN(CC2)CC2=CC=C(C=C2)C)C)=CC1