For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-butyl-3,5-dimethylphenyl trifluoromethanesulfonate
SpectraBase Compound ID 9nnBIeCd6cl
InChI InChI=1S/C13H17F3O3S/c1-4-5-6-12-9(2)7-11(8-10(12)3)19-20(17,18)13(14,15)16/h7-8H,4-6H2,1-3H3
InChIKey ZGINPJYMVSIRQO-UHFFFAOYSA-N
Mol Weight 310.33 g/mol
Molecular Formula C13H17F3O3S
Exact Mass 310.08505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BJeYvwa9ekl
Name 4-butyl-3,5-dimethylphenyl trifluoromethanesulfonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.085050067 u
Formula C13H17F3O3S
InChI InChI=1S/C13H17F3O3S/c1-4-5-6-12-9(2)7-11(8-10(12)3)19-20(17,18)13(14,15)16/h7-8H,4-6H2,1-3H3
InChIKey ZGINPJYMVSIRQO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701691
Molecular Weight 310.331 g/mol
Quality 109
Reported Formula C13H17F3O3S
SMILES C1=C(C=C(C(=C1C)CCCC)C)OS(C(F)(F)F)(=O)=O
SPLASH splash10-014i-1193000000-a76963277a22aaf3a38b
Source of Spectrum ACI-56-SM15-4o (DOI: 10.1002/anie.201701691)
Thin-Layer Chromatography 0.67 (Hexane/EtOAc, 20:1)
Wiley ID 1895997