| SpectraBase Spectrum ID |
9b81l8LDws6 |
| Name |
Glutaric acid, ethyl 2-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.095437122 u |
| Formula |
C13H15FO4 |
| InChI |
InChI=1S/C13H15FO4/c1-2-17-12(15)8-5-9-13(16)18-11-7-4-3-6-10(11)14/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey |
RGSAVHZFNQRISD-UHFFFAOYSA-N |
| Molecular Weight |
254.257 g/mol |
| SMILES |
C1=CC(F)=C(OC(=O)CCCC(OCC)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854559 |
