| SpectraBase Spectrum ID |
5AX3r4DkAFi |
| Name |
Glutaric acid, ethyl 1-(2-fluorophenyl)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.126737251 u |
| Formula |
C15H19FO4 |
| InChI |
InChI=1S/C15H19FO4/c1-3-19-14(17)9-6-10-15(18)20-11(2)12-7-4-5-8-13(12)16/h4-5,7-8,11H,3,6,9-10H2,1-2H3 |
| InChIKey |
KYFBAIGTGHZRMM-UHFFFAOYSA-N |
| Molecular Weight |
282.311 g/mol |
| SMILES |
C(OC(C1=C(C=CC=C1)F)C)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912946 |
