| SpectraBase Spectrum ID |
CgezWlDKfq4 |
| Name |
4-Fluorobenzoic acid, 2-tetrahydrofurylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.084872439 u |
| Formula |
C12H13FO3 |
| InChI |
InChI=1S/C12H13FO3/c13-10-5-3-9(4-6-10)12(14)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2 |
| InChIKey |
OVTQHDSBSNNMOS-UHFFFAOYSA-N |
| Molecular Weight |
224.231 g/mol |
| SMILES |
C1(OCCC1)COC(=O)C=1C=CC(F)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908773 |
