| SpectraBase Compound ID | KEqpKJCfFp1 |
|---|---|
| InChI | InChI=1S/C10H11FO3/c1-2-6-13-10(12)14-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3 |
| InChIKey | MQEKDIHWIQMBRY-UHFFFAOYSA-N |
| Mol Weight | 198.19 g/mol |
| Molecular Formula | C10H11FO3 |
| Exact Mass | 198.069222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6EggNC3vkGF |
|---|---|
| Name | Carbonic acid, 3-fluorophenyl propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.069222374 u |
| Formula | C10H11FO3 |
| InChI | InChI=1S/C10H11FO3/c1-2-6-13-10(12)14-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3 |
| InChIKey | MQEKDIHWIQMBRY-UHFFFAOYSA-N |
| Molecular Weight | 198.193 g/mol |
| SMILES | C(OCCC)(=O)OC1=CC=CC(=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93994 |