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Benzeneethanamine, N-phenylacetyl-4,3',4'-tribenzyloxy-3-methoxy-

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Benzeneethanamine, N-phenylacetyl-4,3',4'-tribenzyloxy-3-methoxy-
SpectraBase Compound ID ENXdSXCAPzX
InChI InChI=1S/C38H37NO5/c1-41-36-23-29(17-19-34(36)42-26-30-11-5-2-6-12-30)21-22-39-38(40)25-33-18-20-35(43-27-31-13-7-3-8-14-31)37(24-33)44-28-32-15-9-4-10-16-32/h2-20,23-24H,21-22,25-28H2,1H3,(H,39,40)
InChIKey JTTBRVGHCISLBA-UHFFFAOYSA-N
Mol Weight 587.7 g/mol
Molecular Formula C38H37NO5
Exact Mass 587.267173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oZB1QxIXwj
Name Benzeneethanamine, N-phenylacetyl-4,3',4'-tribenzyloxy-3-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 587.267173290 u
Formula C38H37NO5
InChI InChI=1S/C38H37NO5/c1-41-36-23-29(17-19-34(36)42-26-30-11-5-2-6-12-30)21-22-39-38(40)25-33-18-20-35(43-27-31-13-7-3-8-14-31)37(24-33)44-28-32-15-9-4-10-16-32/h2-20,23-24H,21-22,25-28H2,1H3,(H,39,40)
InChIKey JTTBRVGHCISLBA-UHFFFAOYSA-N
Molecular Weight 587.716 g/mol
SMILES C1=C(C=C(C(=C1)OCC1=CC=CC=C1)OC)CCNC(=O)CC1=CC(=C(OCC2=CC=CC=C2)C=C1)OCC1=CC=CC=C1