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[(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

[(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl 4-methylbenzenesulfonate
SpectraBase Compound ID 2Plrrudyglv
InChI InChI=1S/C24H23NO6S2/c1-17-8-12-21(13-9-17)33(28,29)30-16-22-23(18-10-14-20(15-11-18)32(2,26)27)31-24(25-22)19-6-4-3-5-7-19/h3-15,22-23H,16H2,1-2H3/t22-,23-/m0/s1
InChIKey KCSHXPHCYYHLFH-GOTSBHOMSA-N
Mol Weight 485.57 g/mol
Molecular Formula C24H23NO6S2
Exact Mass 485.09668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O6W08aVo8
Name [(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23NO6S2
InChI InChI=1S/C24H23NO6S2/c1-17-8-12-21(13-9-17)33(28,29)30-16-22-23(18-10-14-20(15-11-18)32(2,26)27)31-24(25-22)19-6-4-3-5-7-19/h3-15,22-23H,16H2,1-2H3/t22-,23-/m0/s1
InChIKey KCSHXPHCYYHLFH-GOTSBHOMSA-N
Molecular Weight 485.569 g/mol
SMILES C=1(O[C@]([C@@](N1)(COS(=O)(=O)c1ccc(C)cc1)[H])(c1ccc(cc1)S(=O)(=O)C)[H])c1ccccc1
SPLASH splash10-08fs-3936000000-0d50c8fc6be3f148a7fd
Source of Spectrum KD-16-957-17
Synonyms 4-Methylbenzenesulfonic acid [(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydrooxazol-4-yl]methyl ester [(4S,5S)-5-(4-methylsulfonylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1637542