| SpectraBase Spectrum ID |
DSZiSpbEUv0 |
| Name |
2,5-Difluorobenzoic acid, 3,4-dimethylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.080535950 u |
| Formula |
C15H12F2O2 |
| InChI |
InChI=1S/C15H12F2O2/c1-9-3-5-12(7-10(9)2)19-15(18)13-8-11(16)4-6-14(13)17/h3-8H,1-2H3 |
| InChIKey |
WOMYWXBCVGJVMM-UHFFFAOYSA-N |
| Molecular Weight |
262.256 g/mol |
| SMILES |
C1=C(C(=CC=C1OC(C1=CC(=CC=C1F)F)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859718 |
