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2-(3-(benzyloxy)-4-methoxyphenyl)-N-(3,4-bis(benzyloxy)phenethyl)acetamide
SpectraBase Compound ID Bbvtt25g54V
InChI InChI=1S/C38H37NO5/c1-41-34-19-18-33(24-36(34)43-27-31-13-7-3-8-14-31)25-38(40)39-22-21-29-17-20-35(42-26-30-11-5-2-6-12-30)37(23-29)44-28-32-15-9-4-10-16-32/h2-20,23-24H,21-22,25-28H2,1H3,(H,39,40)
InChIKey BAYXJTJGCKHRSZ-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 B089mErVYr7
Name 2-(3-(Benzyloxy)-4-methoxyphenyl)-N-(3,4-bis(benzyloxy)phenethyl)acetamide
Comments Computed using HOSE algorithm
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Exact Mass 587.267173290 u
Formula C38H37NO5
InChI InChI=1S/C38H37NO5/c1-41-34-19-18-33(24-36(34)43-27-31-13-7-3-8-14-31)25-38(40)39-22-21-29-17-20-35(42-26-30-11-5-2-6-12-30)37(23-29)44-28-32-15-9-4-10-16-32/h2-20,23-24H,21-22,25-28H2,1H3,(H,39,40)
InChIKey BAYXJTJGCKHRSZ-UHFFFAOYSA-N
Molecular Weight 587.716 g/mol
SMILES C=1(OC)C=CC(CC(=O)NCCC2=CC=C(C(=C2)OCC2=CC=CC=C2)OCC2=CC=CC=C2)=CC1OCC1=CC=CC=C1