| SpectraBase Spectrum ID |
3hnmFNkNiyX |
| Name |
3-Trifluoromethylbenzoic acid, 1-adamantylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.149364403 u |
| Formula |
C19H21F3O2 |
| InChI |
InChI=1S/C19H21F3O2/c20-19(21,22)16-3-1-2-15(7-16)17(23)24-11-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14H,4-6,8-11H2/t12-,13+,14-,18- |
| InChIKey |
DSWANJGNZVGIPM-WXZYKRPKSA-N |
| Molecular Weight |
338.370 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)C1=CC(C(F)(F)F)=CC=C1)[H] |
