| SpectraBase Compound ID | 9pQnvjTiOTw |
|---|---|
| InChI | InChI=1S/C12H15FO2/c1-2-3-4-8-12(14)15-11-7-5-6-10(13)9-11/h5-7,9H,2-4,8H2,1H3 |
| InChIKey | XBRHVQDRZDJUQD-UHFFFAOYSA-N |
| Mol Weight | 210.25 g/mol |
| Molecular Formula | C12H15FO2 |
| Exact Mass | 210.105608 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6BHhRA4536b |
|---|---|
| Name | Hexanoic acid, 3-fluorophenyl 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/c1-2-3-4-8-12(14)15-11-7-5-6-10(13)9-11/h5-7,9H,2-4,8H2,1H3 |
| InChIKey | XBRHVQDRZDJUQD-UHFFFAOYSA-N |
| Molecular Weight | 210.248 g/mol |
| SMILES | C(CCCCC)(=O)OC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.804608 |