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3,5-Di-t-butyl-2-(2'-isoquinolyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID 2gVaQIHIJV2
InChI InChI=1S/C24H26F3NO3S/c1-22(2,3)16-13-18(23(4,5)6)20(19(14-16)31-32(29,30)24(25,26)27)21-17-10-8-7-9-15(17)11-12-28-21/h7-14H,1-6H3
InChIKey GOOIATDCUCKCCQ-UHFFFAOYSA-N
Mol Weight 465.53 g/mol
Molecular Formula C24H26F3NO3S
Exact Mass 465.158549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcxHX3pIL3I
Name 3,5-Di-t-butyl-2-(2'-isoquinolyl)phenyl trifluoromethanesulfonate
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Formula C24H26F3NO3S
InChI InChI=1S/C24H26F3NO3S/c1-22(2,3)16-13-18(23(4,5)6)20(19(14-16)31-32(29,30)24(25,26)27)21-17-10-8-7-9-15(17)11-12-28-21/h7-14H,1-6H3
InChIKey GOOIATDCUCKCCQ-UHFFFAOYSA-N
Molecular Weight 465.531 g/mol
SMILES C(S(Oc1c(c(C(C)(C)C)cc(c1)C(C)(C)C)-c1c2c(cccc2)ccn1)(=O)=O)(F)(F)F
SPLASH splash10-014i-0004900000-ba18fee4c8cf9eccf60f
Source of Spectrum F-56-8898-11
Synonyms 3,5-Ditert-butyl-2-(1-isoquinolinyl)phenyl trifluoromethanesulfonate
Wiley ID 859263