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(2S,3S)-2-(4-methylbenzoyl)-3-morpholin-4-yl-2-phenyloxetane-3-carbonitrile
SpectraBase Compound ID 6UNocfLDMt8
InChI InChI=1S/C22H22N2O3/c1-17-7-9-18(10-8-17)20(25)22(19-5-3-2-4-6-19)21(15-23,16-27-22)24-11-13-26-14-12-24/h2-10H,11-14,16H2,1H3/t21-,22+/m0/s1
InChIKey GHHWSYSVXGNKEU-FCHUYYIVSA-N
Mol Weight 362.43 g/mol
Molecular Formula C22H22N2O3
Exact Mass 362.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmkMNEVLw5U
Name (2S,3S)-2-(4-methylbenzoyl)-3-morpholin-4-yl-2-phenyloxetane-3-carbonitrile
Alternate Name(s) (2S,3S)-2-(4-methylbenzoyl)-3-morpholino-2-phenyl-oxetane-3-carbonitrile (2S,3S)-2-(4-methylphenyl)carbonyl-3-morpholin-4-yl-2-phenyl-oxetane-3-carbonitrile (2S,3S)-2-[(4-methylphenyl)-oxomethyl]-3-(4-morpholinyl)-2-phenyl-3-oxetanecarbonitrile (2S,3S)-3-morpholino-2-phenyl-2-p-toluoyl-oxetane-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O3
InChI InChI=1S/C22H22N2O3/c1-17-7-9-18(10-8-17)20(25)22(19-5-3-2-4-6-19)21(15-23,16-27-22)24-11-13-26-14-12-24/h2-10H,11-14,16H2,1H3/t21-,22+/m0/s1
InChIKey GHHWSYSVXGNKEU-FCHUYYIVSA-N
Molecular Weight 362.429 g/mol
SMILES [C@@]1([C@](C(c2ccc(cc2)C)=O)(c2ccccc2)OC1)(N1CCOCC1)C#N
SPLASH splash10-014i-2900000000-dfd37491f5c2622191d9
Source of Spectrum SB-135-431-4
Wiley ID 1576476