| SpectraBase Compound ID | 8fEDdrOJjxP |
|---|---|
| InChI | InChI=1S/C11H13FO2/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8H,2-3,7H2,1H3 |
| InChIKey | KVQQRISKBBXTMO-UHFFFAOYSA-N |
| Mol Weight | 196.22 g/mol |
| Molecular Formula | C11H13FO2 |
| Exact Mass | 196.089958 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HiSPd93msFA |
|---|---|
| Name | Valeric acid, 3-fluorophenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.089957820 u |
| Formula | C11H13FO2 |
| InChI | InChI=1S/C11H13FO2/c1-2-3-7-11(13)14-10-6-4-5-9(12)8-10/h4-6,8H,2-3,7H2,1H3 |
| InChIKey | KVQQRISKBBXTMO-UHFFFAOYSA-N |
| Molecular Weight | 196.221 g/mol |
| SMILES | C(CCCC)(=O)OC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904221 |