| SpectraBase Spectrum ID |
IPiogJqbb33 |
| Name |
Methyl-3-butyl-4-(trifluoromethylsulfonyloxy)benzoate |
| Appearance |
Light yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15F3O5S |
| InChI |
InChI=1S/C13H15F3O5S/c1-3-4-5-9-8-10(12(17)20-2)6-7-11(9)21-22(18,19)13(14,15)16/h6-8H,3-5H2,1-2H3 |
| InChIKey |
UXWWPUSJHMZYCP-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/anie.202002528 |
| Molecular Weight |
340.313 g/mol |
| Reported Formula |
C13H15F3O5S |
| SMILES |
C(Cc1c(OS(C(F)(F)F)(=O)=O)ccc(c1)C(=O)OC)CC |
| SPLASH |
splash10-014l-1904000000-797af1d77cf58f5b7334 |
| Source of Spectrum |
ACI-59-SM12-4b |
| Thin-Layer Chromatography |
Rf = 0.44 (Hexane/EtOAc, 10:1) |
| Wiley ID |
1857898 |
