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rel-(2S,3R)-2-Benzoyl-3-morpholino-2-phenyloxetane-3-carbonitrile

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rel-(2S,3R)-2-Benzoyl-3-morpholino-2-phenyloxetane-3-carbonitrile
SpectraBase Compound ID 8LpKHSK37So
InChI InChI=1S/C21H20N2O3/c22-15-20(23-11-13-25-14-12-23)16-26-21(20,18-9-5-2-6-10-18)19(24)17-7-3-1-4-8-17/h1-10H,11-14,16H2/t20-,21-/m1/s1
InChIKey VZOZCRBJHZWZKX-NHCUHLMSSA-N
Mol Weight 348.4 g/mol
Molecular Formula C21H20N2O3
Exact Mass 348.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8B9O5G3CM3b
Name rel-(2S,3R)-2-Benzoyl-3-morpholino-2-phenyloxetane-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.147392509 u
Formula C21H20N2O3
InChI InChI=1S/C21H20N2O3/c22-15-20(23-11-13-25-14-12-23)16-26-21(20,18-9-5-2-6-10-18)19(24)17-7-3-1-4-8-17/h1-10H,11-14,16H2/t20-,21-/m1/s1
InChIKey VZOZCRBJHZWZKX-NHCUHLMSSA-N
Molecular Weight 348.402 g/mol
SMILES [C@]1(N2CCOCC2)(C#N)[C@](C(C=2C=CC=CC2)=O)(C=2C=CC=CC2)OC1