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1-piperazinamine, 4-[(4-chlorophenyl)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-
SpectraBase Compound ID 1pln1w2akj6
InChI InChI=1S/C21H26ClN3O3/c1-26-19-12-17(13-20(27-2)21(19)28-3)14-23-25-10-8-24(9-11-25)15-16-4-6-18(22)7-5-16/h4-7,12-14H,8-11,15H2,1-3H3/b23-14+
InChIKey AGYJTCVCVZVNPD-OEAKJJBVSA-N
Mol Weight 403.91 g/mol
Molecular Formula C21H26ClN3O3
Exact Mass 403.166269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ryPJtvLR5U
Name 1-Piperazinamine, 4-[(4-chlorophenyl)methyl]-N-[(E)-(3,4,5-trimethoxyphenyl)methylidene]-
Comments Computed using HOSE algorithm
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Exact Mass 403.166269406 u
Formula C21H26ClN3O3
InChI InChI=1S/C21H26ClN3O3/c1-26-19-12-17(13-20(27-2)21(19)28-3)14-23-25-10-8-24(9-11-25)15-16-4-6-18(22)7-5-16/h4-7,12-14H,8-11,15H2,1-3H3/b23-14+
InChIKey AGYJTCVCVZVNPD-OEAKJJBVSA-N
Molecular Weight 403.910 g/mol
SMILES C1(=C(C=C(C=C1OC)\C=N\N1CCN(CC1)CC=1C=CC(=CC1)Cl)OC)OC