| SpectraBase Spectrum ID |
2n3dZGQ5xF9 |
| Name |
2-(1-Adamantyl)ethyl 2-(trifluoromethyl)benzoate |
| Alternate Name(s) |
2-(Trifluoromethyl)benzoic 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)17-4-2-1-3-16(17)18(24)25-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2/t13-,14+,15-,19+ |
| InChIKey |
ZQANPYWLMPXMMA-IZUZZMAOSA-N |
| Molecular Weight |
352.397 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(=O)c1ccccc1C(F)(F)F)[H] |
| SPLASH |
splash10-01p9-1900000000-f6e716ccaaa88ba4547c |
| Source of Spectrum |
NP-12-8035-0 |
| Wiley ID |
1110603 |
