| SpectraBase Spectrum ID |
EJe00zTE89v |
| Name |
2-(1-Adamantyl)ethyl 3-(trifluoromethyl)benzoate |
| Alternate Name(s) |
3-Trifluoromethylbenzoic acid, 2-(1-adamantyl)ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H23F3O2 |
| InChI |
InChI=1S/C20H23F3O2/c21-20(22,23)17-3-1-2-16(9-17)18(24)25-5-4-19-10-13-6-14(11-19)8-15(7-13)12-19/h1-3,9,13-15H,4-8,10-12H2/t13-,14+,15-,19+ |
| InChIKey |
HNBYLXBUPCSRMI-IZUZZMAOSA-N |
| Molecular Weight |
352.397 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)c1cc(C(F)(F)F)ccc1)[H] |
| SPLASH |
splash10-000l-9800000000-aabc9685cf5362e5fe07 |
| Source of Spectrum |
NP-12-8034-0 |
| Wiley ID |
1110602 |
