| SpectraBase Spectrum ID |
GjuVMSruAEL |
| Name |
Glutaric acid, ethyl 1-(4-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)5-4-6-15(18)20-11(2)12-7-9-13(16)10-8-12/h7-11H,3-6H2,1-2H3 |
| InChIKey |
BMJVCDFEUPYHHJ-UHFFFAOYSA-N |
| Molecular Weight |
282.311 g/mol |
| SMILES |
C(OC(C1=CC=C(C=C1)F)C)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910508 |
