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2,6-Di-tert-butyl-4-[2-chloro-1-phenyl-2-(toluene-4-sulfonyl)ethyl]phenol
SpectraBase Compound ID 1irdtAax4QG
InChI InChI=1S/C29H35ClO3S/c1-19-13-15-22(16-14-19)34(32,33)27(30)25(20-11-9-8-10-12-20)21-17-23(28(2,3)4)26(31)24(18-21)29(5,6)7/h8-18,25,27,31H,1-7H3
InChIKey BBPCIRMUAGVTBN-UHFFFAOYSA-N
Mol Weight 499.1 g/mol
Molecular Formula C29H35ClO3S
Exact Mass 498.199544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KNcUscvZGT
Name 2,6-Di-tert-butyl-4-[2-chloro-1-phenyl-2-(toluene-4-sulfonyl)ethyl]phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35ClO3S
InChI InChI=1S/C29H35ClO3S/c1-19-13-15-22(16-14-19)34(32,33)27(30)25(20-11-9-8-10-12-20)21-17-23(28(2,3)4)26(31)24(18-21)29(5,6)7/h8-18,25,27,31H,1-7H3
InChIKey BBPCIRMUAGVTBN-UHFFFAOYSA-N
Molecular Weight 499.109 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)C(C(S(=O)(=O)c1ccc(cc1)C)Cl)c1ccccc1)C(C)(C)C
SPLASH splash10-0005-0096000000-5301f57a67254458575c
Source of Spectrum F-62-2627-3
Synonyms 2,6-Ditert-butyl-4-{2-chloro-2-[(4-methylphenyl)sulfonyl]-1-phenylethyl}phenol
Wiley ID 1632622