| SpectraBase Spectrum ID |
F6LuEqfpPLn |
| Name |
2-Fluorobenzoic acid. 1-adamantylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.152558077 u |
| Formula |
C18H21FO2 |
| InChI |
InChI=1S/C18H21FO2/c19-16-4-2-1-3-15(16)17(20)21-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2/t12-,13+,14-,18- |
| InChIKey |
RNDPDICMZMASHR-WXZYKRPKSA-N |
| Molecular Weight |
288.362 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)C1=CC=CC=C1F)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84683 |
