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phenol, 2,6-dimethoxy-4-[(E)-[(4-phenyl-1-piperazinyl)imino]methyl]-, acetate (ester)
SpectraBase Compound ID BciqhCZj53h
InChI InChI=1S/C21H25N3O4/c1-16(25)28-21-19(26-2)13-17(14-20(21)27-3)15-22-24-11-9-23(10-12-24)18-7-5-4-6-8-18/h4-8,13-15H,9-12H2,1-3H3/b22-15+
InChIKey WRBOLADBFNFHCJ-PXLXIMEGSA-N
Mol Weight 383.45 g/mol
Molecular Formula C21H25N3O4
Exact Mass 383.184506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqWgjrP9i14
Name Phenol, 2,6-dimethoxy-4-[(E)-[(4-phenyl-1-piperazinyl)imino]methyl]-, acetate (ester)
Comments Computed using HOSE algorithm
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Exact Mass 383.184506293 u
Formula C21H25N3O4
InChI InChI=1S/C21H25N3O4/c1-16(25)28-21-19(26-2)13-17(14-20(21)27-3)15-22-24-11-9-23(10-12-24)18-7-5-4-6-8-18/h4-8,13-15H,9-12H2,1-3H3/b22-15+
InChIKey WRBOLADBFNFHCJ-PXLXIMEGSA-N
Molecular Weight 383.448 g/mol
SMILES C1(=C(C=C(C=C1OC)\C=N\N1CCN(CC1)C=1C=CC=CC1)OC)OC(=O)C