| SpectraBase Spectrum ID |
6fkXT7KwkhG |
| Name |
4-Fluorobenzoic acid, 3-methylbut-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.089957820 u |
| Formula |
C12H13FO2 |
| InChI |
InChI=1S/C12H13FO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3 |
| InChIKey |
AAPZRXZXZNILPP-UHFFFAOYSA-N |
| Molecular Weight |
208.232 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OCC=C(C)C)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897751 |
