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(3R,9bS)-3-phenyl-3,9b-dihydro-2H-oxazolo[2,3-a]isoindol-5-one

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

(3R,9bS)-3-phenyl-3,9b-dihydro-2H-oxazolo[2,3-a]isoindol-5-one
SpectraBase Compound ID 69FPUfaLQE5
InChI InChI=1S/C16H13NO2/c18-15-12-8-4-5-9-13(12)16-17(15)14(10-19-16)11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-,16-/m0/s1
InChIKey LWFJSVCUHMPYEM-HOCLYGCPSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14LkeM6My87
Name (3R,9bs)-3-Phenyl-3,9B-dihydro-2H-oxazolo[2,3-A]isoindol-5-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.094628661 u
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c18-15-12-8-4-5-9-13(12)16-17(15)14(10-19-16)11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-,16-/m0/s1
InChIKey LWFJSVCUHMPYEM-HOCLYGCPSA-N
Molecular Weight 251.285 g/mol
SMILES [C@@]12(N(C(C=3C=CC=CC23)=O)[C@@](CO1)(C=1C=CC=CC1)[H])[H]