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(2R,3S)-2-hexyl-3-phenyl-1-(p-tolylsulfonyl)azetidine
SpectraBase Compound ID AsJ0vIX6DI7
InChI InChI=1S/C22H29NO2S/c1-3-4-5-9-12-22-21(19-10-7-6-8-11-19)17-23(22)26(24,25)20-15-13-18(2)14-16-20/h6-8,10-11,13-16,21-22H,3-5,9,12,17H2,1-2H3/t21-,22-/m1/s1
InChIKey DKCHKRLCAJGQPM-FGZHOGPDSA-N
Mol Weight 371.54 g/mol
Molecular Formula C22H29NO2S
Exact Mass 371.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76lcyLY7zIo
Name (2R,3S)-2-hexyl-3-phenyl-1-(p-tolylsulfonyl)azetidine
Alternate Name(s) (2R,3S)-2-hexyl-1-(4-methylphenyl)sulfonyl-3-phenylazetidine (2R,3S)-2-hexyl-1-(4-methylphenyl)sulfonyl-3-phenyl-azetidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO2S
InChI InChI=1S/C22H29NO2S/c1-3-4-5-9-12-22-21(19-10-7-6-8-11-19)17-23(22)26(24,25)20-15-13-18(2)14-16-20/h6-8,10-11,13-16,21-22H,3-5,9,12,17H2,1-2H3/t21-,22-/m1/s1
InChIKey DKCHKRLCAJGQPM-FGZHOGPDSA-N
Molecular Weight 371.539 g/mol
SMILES [C@]1(N(C[C@@]1(c1ccccc1)[H])S(=O)(=O)c1ccc(C)cc1)(CCCCCC)[H]
SPLASH splash10-0udi-0900000000-97fab297f367ca30f1dd
Source of Spectrum K1-2004-4480-6
Wiley ID 1561837