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N-Benzoyl-3-phenylisoserine, N-pentyl ester

View entire compound with spectra: 1 NMR

N-Benzoyl-3-phenylisoserine, N-pentyl ester
SpectraBase Compound ID 5jOZlwulWsb
InChI InChI=1S/C23H29NO4/c1-3-5-12-17-28-21(23(26)27-4-2)20(18-13-8-6-9-14-18)24-22(25)19-15-10-7-11-16-19/h6-11,13-16,20-21H,3-5,12,17H2,1-2H3,(H,24,25)
InChIKey MVWYAPIPFPNEBQ-UHFFFAOYSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9whb5foZDo
Name N-Benzoyl-3-phenylisoserine, N-pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.209658414 u
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-3-5-12-17-28-21(23(26)27-4-2)20(18-13-8-6-9-14-18)24-22(25)19-15-10-7-11-16-19/h6-11,13-16,20-21H,3-5,12,17H2,1-2H3,(H,24,25)
InChIKey MVWYAPIPFPNEBQ-UHFFFAOYSA-N
Molecular Weight 383.488 g/mol
SMILES C1=CC(=CC=C1)C(NC(C1=CC=CC=C1)=O)C(C(OCC)=O)OCCCCC