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3-(2-methyl-2-phenylpropyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID AxxPy0g7IR7
InChI InChI=1S/C17H17F3O3S/c1-16(2,14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)23-24(21,22)17(18,19)20/h3-11H,12H2,1-2H3
InChIKey VGCMYFJRMILGRP-UHFFFAOYSA-N
Mol Weight 358.38 g/mol
Molecular Formula C17H17F3O3S
Exact Mass 358.08505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFMTTxYqgac
Name 3-(2-methyl-2-phenylpropyl)phenyl trifluoromethanesulfonate
Appearance Light yellow oil
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Formula C17H17F3O3S
InChI InChI=1S/C17H17F3O3S/c1-16(2,14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)23-24(21,22)17(18,19)20/h3-11H,12H2,1-2H3
InChIKey VGCMYFJRMILGRP-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 358.375 g/mol
Reported Formula C17H17F3O3S
SMILES c1c(OS(C(F)(F)F)(=O)=O)cc(cc1)CC(c1ccccc1)(C)C
SPLASH splash10-014i-3900000000-8aae6862feeb66e8e206
Source of Spectrum ACI-59-SM12-4c
Thin-Layer Chromatography Rf = 0.47 ( Hexane/EtOAc, 20:1)
Wiley ID 1857899