| SpectraBase Spectrum ID |
QQ808C1dzu |
| Name |
2,4-Difluorobenzoic acid, phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.049235822 u |
| Formula |
C13H8F2O2 |
| InChI |
InChI=1S/C13H8F2O2/c14-9-6-7-11(12(15)8-9)13(16)17-10-4-2-1-3-5-10/h1-8H |
| InChIKey |
IGSMVJXHMGWQFU-UHFFFAOYSA-N |
| Molecular Weight |
234.202 g/mol |
| SMILES |
C1=CC=C(C=C1)OC(C1=C(C=C(F)C=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955365 |
