| SpectraBase Spectrum ID |
ITaeqUnuG2t |
| Name |
5-(adamantan-1-yl)-4-bromo-3-methoxyphenyl trifluoromethanesulfonate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20BrF3O4S |
| InChI |
InChI=1S/C18H20BrF3O4S/c1-25-15-6-13(26-27(23,24)18(20,21)22)5-14(16(15)19)17-7-10-2-11(8-17)4-12(3-10)9-17/h5-6,10-12H,2-4,7-9H2,1H3 |
| InChIKey |
MRGWBVSXEDNEHT-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/anie.202001326 |
| Molecular Weight |
469.313 g/mol |
| Reported Formula |
C18H20BrF3O4S |
| SMILES |
c1(cc(c(c(c1)C12CC3CC(CC(C3)C1)C2)Br)OC)OS(C(F)(F)F)(=O)=O |
| SPLASH |
splash10-01b9-2210900000-6b786a9534de806e428f |
| Source of Spectrum |
ACI-59-SM11-1 |
| Thin-Layer Chromatography |
Rf = 0.44 (Hexane/DCM, 5:1) |
| Wiley ID |
1857880 |
