| SpectraBase Spectrum ID |
50BHzgfM63c |
| Name |
3-(adamantan-1-yl)-4-butyl-5-methoxyphenyl trifluoromethanesulfonate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29F3O4S |
| InChI |
InChI=1S/C22H29F3O4S/c1-3-4-5-18-19(21-11-14-6-15(12-21)8-16(7-14)13-21)9-17(10-20(18)28-2)29-30(26,27)22(23,24)25/h9-10,14-16H,3-8,11-13H2,1-2H3 |
| InChIKey |
FBUJFABYAITXBZ-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/anie.202001326 |
| Molecular Weight |
446.525 g/mol |
| Reported Formula |
C22H29F3O4S |
| SMILES |
c1(cc(c(c(c1)C12CC3CC(CC(C3)C1)C2)CCCC)OC)OS(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-0udj-2360900000-2aa8af8c12eee9907006 |
| Source of Spectrum |
ACI-59-SM19-10c |
| Thin-Layer Chromatography |
Rf = 0.61 (Hexane/DCM, 5:1) |
| Wiley ID |
1857862 |
