| SpectraBase Spectrum ID |
KAjQzDbnJU5 |
| Name |
Glutaric acid, 1-(2,6-difluorophenyl)ethyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.117315382 u |
| Formula |
C15H18F2O4 |
| InChI |
InChI=1S/C15H18F2O4/c1-3-20-13(18)8-5-9-14(19)21-10(2)15-11(16)6-4-7-12(15)17/h4,6-7,10H,3,5,8-9H2,1-2H3 |
| InChIKey |
OJIZSMHBRMGUGL-UHFFFAOYSA-N |
| Molecular Weight |
300.302 g/mol |
| SMILES |
C(OC(C)C1=C(C=CC=C1F)F)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843411 |
