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(2S,3S)-2-Benzoyl-2-(4-chloro-phenyl)-3-morpholin-4-yl-oxetane-3-carbonitrile

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(2S,3S)-2-Benzoyl-2-(4-chloro-phenyl)-3-morpholin-4-yl-oxetane-3-carbonitrile
SpectraBase Compound ID EVB7Yt4b7bG
InChI InChI=1S/C21H19ClN2O3/c22-18-8-6-17(7-9-18)21(19(25)16-4-2-1-3-5-16)20(14-23,15-27-21)24-10-12-26-13-11-24/h1-9H,10-13,15H2/t20-,21+/m0/s1
InChIKey BSEADSRAEAGDJN-LEWJYISDSA-N
Mol Weight 382.85 g/mol
Molecular Formula C21H19ClN2O3
Exact Mass 382.10842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvTqBJNgInH
Name (2S,3S)-2-Benzoyl-2-(4-chloro-phenyl)-3-morpholin-4-yl-oxetane-3-carbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.108420177 u
Formula C21H19ClN2O3
InChI InChI=1S/C21H19ClN2O3/c22-18-8-6-17(7-9-18)21(19(25)16-4-2-1-3-5-16)20(14-23,15-27-21)24-10-12-26-13-11-24/h1-9H,10-13,15H2/t20-,21+/m0/s1
InChIKey BSEADSRAEAGDJN-LEWJYISDSA-N
Molecular Weight 382.847 g/mol
SMILES [C@@]1([C@](N2CCOCC2)(C#N)CO1)(C(=O)C1=CC=CC=C1)C=1C=CC(=CC1)Cl