| SpectraBase Spectrum ID |
JgLzKZRYZF0 |
| Name |
2-(Trifluoromethyl)benzoic 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)16-4-2-1-3-15(16)17(23)24-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2/t12-,13+,14-,18- |
| InChIKey |
GWFQPLULQGNMGR-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=CC=C1C(F)(F)F)[H] |
