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2,6-Di-tert-butyl-4-[2-chloro-1-(4-methoxyphenyl)-2-(toluene-4-sulfonyl)ethyl]phenol
SpectraBase Compound ID 3xc3WsQTpUR
InChI InChI=1S/C30H37ClO4S/c1-19-9-15-23(16-10-19)36(33,34)28(31)26(20-11-13-22(35-8)14-12-20)21-17-24(29(2,3)4)27(32)25(18-21)30(5,6)7/h9-18,26,28,32H,1-8H3
InChIKey YDAODOGFQIYNQA-UHFFFAOYSA-N
Mol Weight 529.1 g/mol
Molecular Formula C30H37ClO4S
Exact Mass 528.210109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XH6bUKyHkP
Name 2,6-Di-tert-butyl-4-[2-chloro-1-(4-methoxyphenyl)-2-(toluene-4-sulfonyl)ethyl]phenol
Alternate Name(s) 2,6-Ditert-butyl-4-{2-chloro-1-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonyl]ethyl}phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H37ClO4S
InChI InChI=1S/C30H37ClO4S/c1-19-9-15-23(16-10-19)36(33,34)28(31)26(20-11-13-22(35-8)14-12-20)21-17-24(29(2,3)4)27(32)25(18-21)30(5,6)7/h9-18,26,28,32H,1-8H3
InChIKey YDAODOGFQIYNQA-UHFFFAOYSA-N
Molecular Weight 529.135 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)C(C(S(=O)(=O)c1ccc(cc1)C)Cl)c1ccc(cc1)OC)C(C)(C)C
SPLASH splash10-004i-0009000000-abaeafe53b0170deff74
Source of Spectrum F-62-2628-3
Wiley ID 1632617