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3-Benzamido-3-(4-methoxyphenyl)propanoic acid phenacyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Benzamido-3-(4-methoxyphenyl)propanoic acid phenacyl ester
SpectraBase Compound ID 8cYdqSRNide
InChI InChI=1S/C25H23NO5/c1-30-21-14-12-18(13-15-21)22(26-25(29)20-10-6-3-7-11-20)16-24(28)31-17-23(27)19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,26,29)
InChIKey PZRMKELFRMKDNC-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C25H23NO5
Exact Mass 417.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E6u4OforUZF
Name 3-Benzamido-3-(4-methoxyphenyl)propanoic acid phenacyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.157622840 u
Formula C25H23NO5
InChI InChI=1S/C25H23NO5/c1-30-21-14-12-18(13-15-21)22(26-25(29)20-10-6-3-7-11-20)16-24(28)31-17-23(27)19-8-4-2-5-9-19/h2-15,22H,16-17H2,1H3,(H,26,29)
InChIKey PZRMKELFRMKDNC-UHFFFAOYSA-N
Molecular Weight 417.461 g/mol
SMILES C(NC(CC(OCC(=O)C1=CC=CC=C1)=O)C=1C=CC(OC)=CC1)(=O)C=1C=CC=CC1