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phenol, 2,6-dimethoxy-4-[(Z)-[[4-(2-methoxyphenyl)-1-piperazinyl]imino]methyl]-, acetate (ester)
SpectraBase Compound ID 4YVwJAnN1W
InChI InChI=1S/C22H27N3O5/c1-16(26)30-22-20(28-3)13-17(14-21(22)29-4)15-23-25-11-9-24(10-12-25)18-7-5-6-8-19(18)27-2/h5-8,13-15H,9-12H2,1-4H3/b23-15-
InChIKey OJOYLRPIFPHBAQ-HAHDFKILSA-N
Mol Weight 413.47 g/mol
Molecular Formula C22H27N3O5
Exact Mass 413.195071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4Dh7wbqfxC
Name Phenol, 2,6-dimethoxy-4-[(Z)-[[4-(2-methoxyphenyl)-1-piperazinyl]imino]methyl]-, acetate (ester)
Comments Computed using HOSE algorithm
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Exact Mass 413.195070976 u
Formula C22H27N3O5
InChI InChI=1S/C22H27N3O5/c1-16(26)30-22-20(28-3)13-17(14-21(22)29-4)15-23-25-11-9-24(10-12-25)18-7-5-6-8-19(18)27-2/h5-8,13-15H,9-12H2,1-4H3/b23-15-
InChIKey OJOYLRPIFPHBAQ-HAHDFKILSA-N
Molecular Weight 413.474 g/mol
SMILES C1(=C(C=C(C=C1OC)\C=N/N1CCN(CC1)C=1C(OC)=CC=CC1)OC)OC(=O)C