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(3R,8aR)-3-phenyl-8a-(3-phenylpropyl)-3,6,7,8-tetrahydro-2H-oxazolo[3,2-a]pyridin-5-one
SpectraBase Compound ID 7yo1PkQ5D4K
InChI InChI=1S/C22H25NO2/c24-21-14-8-16-22(15-7-11-18-9-3-1-4-10-18)23(21)20(17-25-22)19-12-5-2-6-13-19/h1-6,9-10,12-13,20H,7-8,11,14-17H2/t20-,22+/m0/s1
InChIKey OQBZSWVCUCCBMC-RBBKRZOGSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8S7zKVRQUJF
Name (3R,8ar)-3-Phenyl-8A-(3-phenylpropyl)-3,6,7,8-tetrahydro-2H-oxazolo[3,2-A]pyridin-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.188529047 u
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c24-21-14-8-16-22(15-7-11-18-9-3-1-4-10-18)23(21)20(17-25-22)19-12-5-2-6-13-19/h1-6,9-10,12-13,20H,7-8,11,14-17H2/t20-,22+/m0/s1
InChIKey OQBZSWVCUCCBMC-RBBKRZOGSA-N
Molecular Weight 335.447 g/mol
SMILES [C@@]12(N([C@@](CO2)(C=2C=CC=CC2)[H])C(CCC1)=O)CCCC1=CC=CC=C1