| SpectraBase Spectrum ID |
FXXd8nss6UD |
| Name |
3-(4-Fluorophenyl)butanoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.105607884 u |
| Formula |
C12H15FO2 |
| InChI |
InChI=1S/C12H15FO2/c1-3-15-12(14)8-9(2)10-4-6-11(13)7-5-10/h4-7,9H,3,8H2,1-2H3 |
| InChIKey |
WUMWOGQJNPFHOF-UHFFFAOYSA-N |
| Molecular Weight |
210.248 g/mol |
| SMILES |
C(CC(C)C=1C=CC(=CC1)F)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959632 |
