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(1S,2S)/(!R,2R)-2,6-Di-tert-butyl-4-[1,2-diphenyl-2-(toluene-4-sulfonyl)ethyl]phenol

View entire compound with spectra: 1 MS (GC)

(1S,2S)/(!R,2R)-2,6-Di-tert-butyl-4-[1,2-diphenyl-2-(toluene-4-sulfonyl)ethyl]phenol
SpectraBase Compound ID BEb74T0aZP4
InChI InChI=1S/C35H40O3S/c1-24-18-20-28(21-19-24)39(37,38)33(26-16-12-9-13-17-26)31(25-14-10-8-11-15-25)27-22-29(34(2,3)4)32(36)30(23-27)35(5,6)7/h8-23,31,33,36H,1-7H3/t31-,33+/m1/s1
InChIKey JCCLWIFFNQMDCZ-VTIYRKAUSA-N
Mol Weight 540.8 g/mol
Molecular Formula C35H40O3S
Exact Mass 540.269816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E02jXu0aZcd
Name (1S,2S)/(!R,2R)-2,6-Di-tert-butyl-4-[1,2-diphenyl-2-(toluene-4-sulfonyl)ethyl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40O3S
InChI InChI=1S/C35H40O3S/c1-24-18-20-28(21-19-24)39(37,38)33(26-16-12-9-13-17-26)31(25-14-10-8-11-15-25)27-22-29(34(2,3)4)32(36)30(23-27)35(5,6)7/h8-23,31,33,36H,1-7H3/t31-,33+/m1/s1
InChIKey JCCLWIFFNQMDCZ-VTIYRKAUSA-N
Molecular Weight 540.762 g/mol
SMILES Oc1c(cc([C@]([C@@](S(c2ccc(cc2)C)(=O)=O)(c2ccccc2)[H])(c2ccccc2)[H])cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0002-0090000000-5697cc2bb437dc9646d1
Source of Spectrum F-62-2627-3
Synonyms 2,6-Ditert-butyl-4-{(1R,2R)-2-[(4-methylphenyl)sulfonyl]-1,2-diphenylethyl}phenol
Wiley ID 1632621