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(3R,4S,5R)-3-acetyl-4-phenacyl-5-phenyl-2-oxolanone

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

(3R,4S,5R)-3-acetyl-4-phenacyl-5-phenyl-2-oxolanone
SpectraBase Compound ID COPJBeYU2lb
InChI InChI=1S/C20H18O4/c1-13(21)18-16(12-17(22)14-8-4-2-5-9-14)19(24-20(18)23)15-10-6-3-7-11-15/h2-11,16,18-19H,12H2,1H3/t16-,18-,19-/m0/s1
InChIKey OISBIEJGQMQZBH-WDSOQIARSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64tkEjJAiHe
Name (3R,4S,5R)-3-Acetyl-4-phenacyl-5-phenyl-2-oxolanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.120509056 u
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-13(21)18-16(12-17(22)14-8-4-2-5-9-14)19(24-20(18)23)15-10-6-3-7-11-15/h2-11,16,18-19H,12H2,1H3/t16-,18-,19-/m0/s1
InChIKey OISBIEJGQMQZBH-WDSOQIARSA-N
Molecular Weight 322.360 g/mol
SMILES C1([C@]([C@](CC(=O)C=2C=CC=CC2)([C@@](O1)(C1=CC=CC=C1)[H])[H])(C(=O)C)[H])=O