| SpectraBase Spectrum ID |
C5twOmB8IIo |
| Name |
2,6-Difluoro-3-methylbenzoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.064885886 u |
| Formula |
C10H10F2O2 |
| InChI |
InChI=1S/C10H10F2O2/c1-3-14-10(13)8-7(11)5-4-6(2)9(8)12/h4-5H,3H2,1-2H3 |
| InChIKey |
IWFXOLBZIKXIRR-UHFFFAOYSA-N |
| Molecular Weight |
200.185 g/mol |
| SMILES |
C1(=C(C(=CC=C1F)C)F)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931701 |
