| SpectraBase Spectrum ID |
EDCnzC0jDxt |
| Name |
4-(adamantan-1-yl)-2-butyl-5-methoxyphenyl trifluoromethanesulfonate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H29F3O4S |
| InChI |
InChI=1S/C22H29F3O4S/c1-3-4-5-17-9-18(21-11-14-6-15(12-21)8-16(7-14)13-21)20(28-2)10-19(17)29-30(26,27)22(23,24)25/h9-10,14-16H,3-8,11-13H2,1-2H3 |
| InChIKey |
CRNZDCBXZMFCEM-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/anie.202002528 |
| Molecular Weight |
446.525 g/mol |
| Reported Formula |
C22H29F3O4S |
| SMILES |
c1(CCCC)c(OS(C(F)(F)F)(=O)=O)cc(OC)c(c1)C12CC3CC(C2)CC(C3)C1 |
| SPLASH |
splash10-0072-0440900000-281334ada0a02c465bee |
| Source of Spectrum |
ACI-59-SM16-4q |
| Thin-Layer Chromatography |
Rf = 0.66 (Hexane/EtOAc, 20:1) |
| Wiley ID |
1857913 |
