| SpectraBase Spectrum ID |
1Ppj4iSwU7o |
| Name |
(3,5,5-2H3)-4-Isopropyl-1,3-cyclohexadien-1-yl trifluoromethanesulfonate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10D3F3O3S |
| InChI |
InChI=1S/C10H13F3O3S/c1-7(2)8-3-5-9(6-4-8)16-17(14,15)10(11,12)13/h3,5,7H,4,6H2,1-2H3/i3D,4D2 |
| InChIKey |
CRLQEGISFRKALM-MPRALRHZSA-N |
| Instrument Name |
Shimadzu GC-MS-QP2020 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202000684 |
| Molecular Weight |
273.285 g/mol |
| Reported Formula |
C10H10(2)H3F3O3S |
| SMILES |
C1=C(OS(C(F)(F)F)(=O)=O)CC([D])([D])C(C(C)C)=C1[D] |
| SPLASH |
splash10-0002-9100000000-6956b474bf8e43a2fc66 |
| Source of Spectrum |
U1-2020-4898-17d |
| Thin-Layer Chromatography |
Rf = 0.24 (SiO2, n-pentane) |
| Wiley ID |
1860850 |
