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3,5-Di-tert-Butyl-2-(3',5'-dimethyl-2'-pyridyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID KhFOjE1uG0B
InChI InChI=1S/C22H28F3NO3S/c1-13-9-14(2)19(26-12-13)18-16(21(6,7)8)10-15(20(3,4)5)11-17(18)29-30(27,28)22(23,24)25/h9-12H,1-8H3
InChIKey YYIAFMOKPOJZOA-UHFFFAOYSA-N
Mol Weight 443.53 g/mol
Molecular Formula C22H28F3NO3S
Exact Mass 443.174199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EcI9jx7iAj
Name 3,5-Di-tert-Butyl-2-(3',5'-dimethyl-2'-pyridyl)phenyl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28F3NO3S
InChI InChI=1S/C22H28F3NO3S/c1-13-9-14(2)19(26-12-13)18-16(21(6,7)8)10-15(20(3,4)5)11-17(18)29-30(27,28)22(23,24)25/h9-12H,1-8H3
InChIKey YYIAFMOKPOJZOA-UHFFFAOYSA-N
Molecular Weight 443.525 g/mol
SMILES C(S(Oc1c(c(C(C)(C)C)cc(c1)C(C)(C)C)-c1ncc(cc1C)C)(=O)=O)(F)(F)F
SPLASH splash10-0002-0091400000-d550ef0f8af0f5056519
Source of Spectrum F-56-8897-9
Synonyms 3,5-Ditert-butyl-2-(3,5-dimethyl-2-pyridinyl)phenyl trifluoromethanesulfonate
Wiley ID 859267