| SpectraBase Compound ID | LHNVYzgn8xu |
|---|---|
| InChI | InChI=1S/C12H13FO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3 |
| InChIKey | AAPZRXZXZNILPP-UHFFFAOYSA-N |
| Mol Weight | 208.23 g/mol |
| Molecular Formula | C12H13FO2 |
| Exact Mass | 208.089958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KuLmCeGkBfU |
|---|---|
| Name | 4-Fluorobenzoic acid, 3-methylbut-2-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.089957820 u |
| Formula | C12H13FO2 |
| InChI | InChI=1S/C12H13FO2/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-7H,8H2,1-2H3 |
| InChIKey | AAPZRXZXZNILPP-UHFFFAOYSA-N |
| Molecular Weight | 208.232 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC=C(C)C)=O)F |