| SpectraBase Spectrum ID |
CfrEfLaXb5b |
| Name |
[1-[m-(Trifluoromethyl)phenyl]-2-adamantyl]-p-toluenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H25F3O3S |
| InChI |
InChI=1S/C24H25F3O3S/c1-15-5-7-21(8-6-15)31(28,29)30-22-18-10-16-9-17(11-18)14-23(22,13-16)19-3-2-4-20(12-19)24(25,26)27/h2-8,12,16-18,22H,9-11,13-14H2,1H3/t16-,17+,18-,22?,23+ |
| InChIKey |
NXTGZLMMBWTJRX-HQNPHSGCSA-N |
| Literature Reference DOI |
10.1002/cber.19731060112 |
| Molecular Weight |
450.516 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(C[C@](C1OS(c1ccc(cc1)C)(=O)=O)(C3)c1cccc(c1)C(F)(F)F)[H])[H])[H] |
| SPLASH |
splash10-004i-7090000000-9a612186e57aeb6cfb97 |
| Source of Spectrum |
K-106-88-13c |
| Synonyms |
(1r,3s,5R,7S)-1-(3-(trifluoromethyl)phenyl)adamantan-2-yl 4-methylbenzenesulfonate |
| Wiley ID |
1793484 |
![[1-[m-(Trifluoromethyl)phenyl]-2-adamantyl]-p-toluenesulfonate](/api/spectrum/CfrEfLaXb5b/structure.png?h=300&w=458 "[1-[m-(Trifluoromethyl)phenyl]-2-adamantyl]-p-toluenesulfonate")
