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(2S,3S)-2-Benzoyl-2-(p-bromophenyl)-3-morpholino-oxetane-3-carbonitrile
SpectraBase Compound ID Bgrxn9HUvw3
InChI InChI=1S/C21H19BrN2O3/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 OMDSRXDXPKBFFZ-LEWJYISDSA-N
Mol Weight 427.3 g/mol
Molecular Formula C21H19BrN2O3
Exact Mass 426.057905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IjjUUURUHe
Name (2S,3S)-2-Benzoyl-2-(p-bromophenyl)-3-morpholino-oxetane-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19BrN2O3
InChI InChI=1S/C21H19BrN2O3/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 OMDSRXDXPKBFFZ-LEWJYISDSA-N
Molecular Weight 427.298 g/mol
SMILES [C@@]1([C@](N2CCOCC2)(C#N)CO1)(C(=O)c1ccccc1)c1ccc(cc1)Br
SPLASH splash10-0a4r-1900000000-39237b4f655e60129a82
Source of Spectrum SB-135-430-6
Synonyms (2S,3S)-2-benzoyl-2-(4-bromophenyl)-3-(4-morpholinyl)-3-oxetanecarbonitrile 2-Benzoyl-2-(p-bromophenyl)-3-morpholino-oxethane-3-carbonitrile
Wiley ID 1576478