| SpectraBase Spectrum ID |
bToTyw3qgu |
| Name |
2,5-Difluorobenzoic acid, 2-ethoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.075450569 u |
| Formula |
C11H12F2O3 |
| InChI |
InChI=1S/C11H12F2O3/c1-2-15-5-6-16-11(14)9-7-8(12)3-4-10(9)13/h3-4,7H,2,5-6H2,1H3 |
| InChIKey |
OBGVCBDEMFLBJB-UHFFFAOYSA-N |
| Molecular Weight |
230.211 g/mol |
| SMILES |
C(OCC)COC(=O)C1=CC(=CC=C1F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801972 |
