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Benzeneethanamine, N-[[3,4-dibenzyloxyphenyl]acetyl]-4-hydroxy-3-methoxy-

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Benzeneethanamine, N-[[3,4-dibenzyloxyphenyl]acetyl]-4-hydroxy-3-methoxy-
SpectraBase Compound ID 8jhxz0b9r1J
InChI InChI=1S/C31H31NO5/c1-35-29-18-23(12-14-27(29)33)16-17-32-31(34)20-26-13-15-28(36-21-24-8-4-2-5-9-24)30(19-26)37-22-25-10-6-3-7-11-25/h2-15,18-19,33H,16-17,20-22H2,1H3,(H,32,34)
InChIKey IIMPMLFWRFCKHD-UHFFFAOYSA-N
Mol Weight 497.59 g/mol
Molecular Formula C31H31NO5
Exact Mass 497.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ST0WPv0SyF
Name Benzeneethanamine, N-[[3,4-dibenzyloxyphenyl]acetyl]-4-hydroxy-3-methoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.220223097 u
Formula C31H31NO5
InChI InChI=1S/C31H31NO5/c1-35-29-18-23(12-14-27(29)33)16-17-32-31(34)20-26-13-15-28(36-21-24-8-4-2-5-9-24)30(19-26)37-22-25-10-6-3-7-11-25/h2-15,18-19,33H,16-17,20-22H2,1H3,(H,32,34)
InChIKey IIMPMLFWRFCKHD-UHFFFAOYSA-N
Molecular Weight 497.591 g/mol
SMILES C1(=C(C=C(C=C1)CCNC(CC1=CC(=C(OCC2=CC=CC=C2)C=C1)OCC1=CC=CC=C1)=O)OC)O