| SpectraBase Compound ID | AwlvQ8r7Xu6 |
|---|---|
| InChI | InChI=1S/C12H13FO3/c13-10-4-1-3-9(7-10)12(14)16-8-11-5-2-6-15-11/h1,3-4,7,11H,2,5-6,8H2 |
| InChIKey | PNSMKQRRWUDPEJ-UHFFFAOYSA-N |
| Mol Weight | 224.23 g/mol |
| Molecular Formula | C12H13FO3 |
| Exact Mass | 224.084872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElZjtXQTtrf |
|---|---|
| Name | 3-Fluorobenzoic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.084872439 u |
| Formula | C12H13FO3 |
| InChI | InChI=1S/C12H13FO3/c13-10-4-1-3-9(7-10)12(14)16-8-11-5-2-6-15-11/h1,3-4,7,11H,2,5-6,8H2 |
| InChIKey | PNSMKQRRWUDPEJ-UHFFFAOYSA-N |
| Molecular Weight | 224.231 g/mol |
| SMILES | C1OC(CC1)COC(=O)C=1C=CC=C(F)C1 |