For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-[(3R,4S,5S)-3,4-dibenzyloxy-5-hydroxymethylpyrrolidin-2-ylidene]-2-phenyl-4H-oxazol-5-one

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

4-[(3R,4S,5S)-3,4-dibenzyloxy-5-hydroxymethylpyrrolidin-2-ylidene]-2-phenyl-4H-oxazol-5-one
SpectraBase Compound ID Ac15bWX5h6o
InChI InChI=1S/C28H26N2O5/c31-16-22-25(33-17-19-10-4-1-5-11-19)26(34-18-20-12-6-2-7-13-20)23(29-22)24-28(32)35-27(30-24)21-14-8-3-9-15-21/h1-15,22,25-26,29,31H,16-18H2/b24-23-/t22-,25-,26+/m0/s1
InChIKey NABUBLYFBWVLJR-DAFKSUMYSA-N
Mol Weight 470.53 g/mol
Molecular Formula C28H26N2O5
Exact Mass 470.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EPHfxuF87y6
Name 4-[(3R,4S,5S)-3,4-Dibenzyloxy-5-hydroxymethylpyrrolidin-2-ylidene]-2-phenyl-4H-oxazol-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.184171940 u
Formula C28H26N2O5
InChI InChI=1S/C28H26N2O5/c31-16-22-25(33-17-19-10-4-1-5-11-19)26(34-18-20-12-6-2-7-13-20)23(29-22)24-28(32)35-27(30-24)21-14-8-3-9-15-21/h1-15,22,25-26,29,31H,16-18H2/b24-23-/t22-,25-,26+/m0/s1
InChIKey NABUBLYFBWVLJR-DAFKSUMYSA-N
Molecular Weight 470.525 g/mol
SMILES [C@]1(N\C(=C/2N=C(C3=CC=CC=C3)OC2=O)[C@]([C@]1(OCC1=CC=CC=C1)[H])(OCC=1C=CC=CC1)[H])(CO)[H]