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2-((1-(4-Methoxyphenethyl)piperidin-4-ylimino)methyl)-5-(benzyloxy)-1-methylpyridin-4(1H)-one
SpectraBase Compound ID Eo6VPtySJWZ
InChI InChI=1S/C28H33N3O3/c1-30-20-28(34-21-23-6-4-3-5-7-23)27(32)18-25(30)19-29-24-13-16-31(17-14-24)15-12-22-8-10-26(33-2)11-9-22/h3-11,18-20,24H,12-17,21H2,1-2H3
InChIKey LYOAAXHJNDBIIB-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C28H33N3O3
Exact Mass 459.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcW0pOqV4yZ
Name 2-((1-(4-Methoxyphenethyl)piperidin-4-ylimino)methyl)-5-(benzyloxy)-1-methylpyridin-4(1H)-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.252191932 u
Formula C28H33N3O3
InChI InChI=1S/C28H33N3O3/c1-30-20-28(34-21-23-6-4-3-5-7-23)27(32)18-25(30)19-29-24-13-16-31(17-14-24)15-12-22-8-10-26(33-2)11-9-22/h3-11,18-20,24H,12-17,21H2,1-2H3
InChIKey LYOAAXHJNDBIIB-UHFFFAOYSA-N
Instrument Name Agilent 5975C-inert MSD
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300325
Molecular Weight 459.590 g/mol
Quality 729
SMILES C=1C(C(=CN(C1C=NC1CCN(CC1)CCC1=CC=C(C=C1)OC)C)OCC1=CC=CC=C1)=O
SPLASH splash10-007a-9823000000-735cc075d120df515f90
Source of Spectrum CBD-20-SM86-Vd (DOI: 10.1002/cbdv.202300325)
Wiley ID 1909867