| SpectraBase Compound ID | 4qe97Ocqo1E |
|---|---|
| InChI | InChI=1S/C12H15FO2/c1-3-5-9(2)15-12(14)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3 |
| InChIKey | HAJPWIKZIJIKSJ-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 | ISjgSOatQFr |
|---|---|
| Name | 3-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/c1-3-5-9(2)15-12(14)10-6-4-7-11(13)8-10/h4,6-9H,3,5H2,1-2H3 |
| InChIKey | HAJPWIKZIJIKSJ-UHFFFAOYSA-N |
| Molecular Weight | 210.248 g/mol |
| SMILES | CCCC(C)OC(=O)C=1C=CC=C(F)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90953 |