| SpectraBase Spectrum ID |
CKWDdyTaGAu |
| Name |
4-Fluorobenzoic acid, 2,2-dimethylpropyl 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/c1-12(2,3)8-15-11(14)9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChIKey |
SHHGFBLYQIMPHC-UHFFFAOYSA-N |
| Molecular Weight |
210.248 g/mol |
| SMILES |
CC(C)(C)COC(=O)C=1C=CC(F)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93666 |
