| SpectraBase Spectrum ID |
9OrTFl9tJtL |
| Name |
Glutaric acid, 1-(2-fluorophenyl)ethyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.158037380 u |
| Formula |
C17H23FO4 |
| InChI |
InChI=1S/C17H23FO4/c1-12(2)11-21-16(19)9-6-10-17(20)22-13(3)14-7-4-5-8-15(14)18/h4-5,7-8,12-13H,6,9-11H2,1-3H3 |
| InChIKey |
SJPABTCTLDLPHX-UHFFFAOYSA-N |
| Molecular Weight |
310.365 g/mol |
| SMILES |
C(OC(C1=C(C=CC=C1)F)C)(=O)CCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908453 |
