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2,6-Di-tert-butyl-4-[1-phenyl-2-phenylsulfanyl-2-(toluene-4-sulfonyl)ethyl]phenol
SpectraBase Compound ID 4kUUdJ2Qgie
InChI InChI=1S/C35H40O3S2/c1-24-18-20-28(21-19-24)40(37,38)33(39-27-16-12-9-13-17-27)31(25-14-10-8-11-15-25)26-22-29(34(2,3)4)32(36)30(23-26)35(5,6)7/h8-23,31,33,36H,1-7H3
InChIKey PMQFVILBTUGUPU-UHFFFAOYSA-N
Mol Weight 572.8 g/mol
Molecular Formula C35H40O3S2
Exact Mass 572.241887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHM7I1sFOvV
Name 2,6-Di-tert-butyl-4-[1-phenyl-2-phenylsulfanyl-2-(toluene-4-sulfonyl)ethyl]phenol
Alternate Name(s) 2,6-Ditert-butyl-4-[2-[(4-methylphenyl)sulfonyl]-1-phenyl-2-(phenylsulfanyl)ethyl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40O3S2
InChI InChI=1S/C35H40O3S2/c1-24-18-20-28(21-19-24)40(37,38)33(39-27-16-12-9-13-17-27)31(25-14-10-8-11-15-25)26-22-29(34(2,3)4)32(36)30(23-26)35(5,6)7/h8-23,31,33,36H,1-7H3
InChIKey PMQFVILBTUGUPU-UHFFFAOYSA-N
Molecular Weight 572.822 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)C(C(S(=O)(=O)c1ccc(cc1)C)Sc1ccccc1)c1ccccc1)C(C)(C)C
SPLASH splash10-052b-0094100000-ab8f6e14294a95ec4094
Source of Spectrum F-62-2627-3
Wiley ID 1632618