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Benzeneethanamine, N-[3,5-dibenzyloxyphenylacetyl]-3-methoxy-

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Benzeneethanamine, N-[3,5-dibenzyloxyphenylacetyl]-3-methoxy-
SpectraBase Compound ID JB9taBWwOEH
InChI InChI=1S/C31H31NO4/c1-34-28-14-8-13-24(17-28)15-16-32-31(33)20-27-18-29(35-22-25-9-4-2-5-10-25)21-30(19-27)36-23-26-11-6-3-7-12-26/h2-14,17-19,21H,15-16,20,22-23H2,1H3,(H,32,33)
InChIKey IGSKNFHPTPNEGL-UHFFFAOYSA-N
Mol Weight 481.59 g/mol
Molecular Formula C31H31NO4
Exact Mass 481.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxkdljjaQXB
Name Benzeneethanamine, N-[3,5-dibenzyloxyphenylacetyl]-3-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.225308478 u
Formula C31H31NO4
InChI InChI=1S/C31H31NO4/c1-34-28-14-8-13-24(17-28)15-16-32-31(33)20-27-18-29(35-22-25-9-4-2-5-10-25)21-30(19-27)36-23-26-11-6-3-7-12-26/h2-14,17-19,21H,15-16,20,22-23H2,1H3,(H,32,33)
InChIKey IGSKNFHPTPNEGL-UHFFFAOYSA-N
Molecular Weight 481.592 g/mol
SMILES C(NCCC1=CC=CC(=C1)OC)(=O)CC1=CC(=CC(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1