| SpectraBase Spectrum ID |
2zqAO0LUI8p |
| Name |
2-Fluorobenzoic acid, 4-methoxybenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.084872439 u |
| Formula |
C15H13FO3 |
| InChI |
InChI=1S/C15H13FO3/c1-18-12-8-6-11(7-9-12)10-19-15(17)13-4-2-3-5-14(13)16/h2-9H,10H2,1H3 |
| InChIKey |
JBLGPJQQARCSQX-UHFFFAOYSA-N |
| Molecular Weight |
260.264 g/mol |
| SMILES |
COC1=CC=C(C=C1)COC(=O)C1=CC=CC=C1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904992 |
