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(R)-N-(1-Phenyl-2-phenylacetylethoxy)-N-[2-(3,4-methylidenedioxyphenyl)ethyl]-2-phenylactamide
SpectraBase Compound ID CI7ZaxZBNXe
InChI InChI=1S/C33H31NO5/c35-32(21-25-10-4-1-5-11-25)34(19-18-27-16-17-30-31(20-27)39-24-38-30)29(28-14-8-3-9-15-28)23-37-33(36)22-26-12-6-2-7-13-26/h1-17,20,29H,18-19,21-24H2/t29-/m0/s1
InChIKey AGHRPWXBEQVYSE-LJAQVGFWSA-N
Mol Weight 521.6 g/mol
Molecular Formula C33H31NO5
Exact Mass 521.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90Jxwyo4cnK
Name (R)-N-(1-Phenyl-2-phenylacetylethoxy)-N-[2-(3,4-methylidenedioxyphenyl)ethyl]-2-phenylactamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 521.220223097 u
Formula C33H31NO5
InChI InChI=1S/C33H31NO5/c35-32(21-25-10-4-1-5-11-25)34(19-18-27-16-17-30-31(20-27)39-24-38-30)29(28-14-8-3-9-15-28)23-37-33(36)22-26-12-6-2-7-13-26/h1-17,20,29H,18-19,21-24H2/t29-/m0/s1
InChIKey AGHRPWXBEQVYSE-LJAQVGFWSA-N
Molecular Weight 521.613 g/mol
SMILES C(N([C@@](COC(=O)CC=1C=CC=CC1)(C=1C=CC=CC1)[H])CCC1=CC=2OCOC2C=C1)(CC1=CC=CC=C1)=O