| SpectraBase Compound ID | Jj8NQNTWqcx |
|---|---|
| InChI | InChI=1S/C12H15FO2/c1-3-4-9(2)15-12(14)10-5-7-11(13)8-6-10/h5-9H,3-4H2,1-2H3 |
| InChIKey | QNNMRUFNFNHVHH-UHFFFAOYSA-N |
| Mol Weight | 210.25 g/mol |
| Molecular Formula | C12H15FO2 |
| Exact Mass | 210.105608 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JXqCp6ibUs6 |
|---|---|
| Name | 4-Fluorobenzoic acid, 2-pentyl 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/c1-3-4-9(2)15-12(14)10-5-7-11(13)8-6-10/h5-9H,3-4H2,1-2H3 |
| InChIKey | QNNMRUFNFNHVHH-UHFFFAOYSA-N |
| Molecular Weight | 210.248 g/mol |
| SMILES | CCCC(C)OC(=O)C=1C=CC(F)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915964 |