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phenol, 2-methoxy-4-[(E)-[[4-(1-naphthalenylmethyl)-1-piperazinyl]imino]methyl]-, acetate (ester)
SpectraBase Compound ID HF5SYZoKkik
InChI InChI=1S/C25H27N3O3/c1-19(29)31-24-11-10-20(16-25(24)30-2)17-26-28-14-12-27(13-15-28)18-22-8-5-7-21-6-3-4-9-23(21)22/h3-11,16-17H,12-15,18H2,1-2H3/b26-17+
InChIKey COZHKDGUOZZDAB-YZSQISJMSA-N
Mol Weight 417.51 g/mol
Molecular Formula C25H27N3O3
Exact Mass 417.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPgYzHoQEW8
Name Phenol, 2-methoxy-4-[(E)-[[4-(1-naphthalenylmethyl)-1-piperazinyl]imino]methyl]-, acetate (ester)
Comments Computed using HOSE algorithm
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Exact Mass 417.205241738 u
Formula C25H27N3O3
InChI InChI=1S/C25H27N3O3/c1-19(29)31-24-11-10-20(16-25(24)30-2)17-26-28-14-12-27(13-15-28)18-22-8-5-7-21-6-3-4-9-23(21)22/h3-11,16-17H,12-15,18H2,1-2H3/b26-17+
InChIKey COZHKDGUOZZDAB-YZSQISJMSA-N
Molecular Weight 417.509 g/mol
SMILES C=1C=CC=2C(CN3CCN(\N=C\C=4C=C(OC)C(=CC4)OC(=O)C)CC3)=CC=CC2C1