| SpectraBase Spectrum ID |
3NFQBsiTUWM |
| Name |
2-Fluorobenzoic acid, 4-isopropylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.105607884 u |
| Formula |
C16H15FO2 |
| InChI |
InChI=1S/C16H15FO2/c1-11(2)12-7-9-13(10-8-12)19-16(18)14-5-3-4-6-15(14)17/h3-11H,1-2H3 |
| InChIKey |
CBLYFQUWEKPUNB-UHFFFAOYSA-N |
| Molecular Weight |
258.292 g/mol |
| SMILES |
C1(=CC=CC=C1C(=O)OC1=CC=C(C(C)C)C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806087 |
