| SpectraBase Spectrum ID |
9JIT3iYjrMi |
| Name |
2,6-Difluoro-3-methylbenzoic acid, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.080535950 u |
| Formula |
C11H12F2O2 |
| InChI |
InChI=1S/C11H12F2O2/c1-6(2)15-11(14)9-8(12)5-4-7(3)10(9)13/h4-6H,1-3H3 |
| InChIKey |
ZJWYLCZNZWGVEW-UHFFFAOYSA-N |
| Molecular Weight |
214.212 g/mol |
| SMILES |
C1(=C(C(=CC=C1C)F)C(=O)OC(C)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90708 |
