| SpectraBase Compound ID | 1z2oag0xJs |
|---|---|
| InChI | InChI=1S/C12H15FO2/c1-8(2)9(3)15-12(14)10-6-4-5-7-11(10)13/h4-9H,1-3H3 |
| InChIKey | LMYBEDLSYSXGEU-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 | AJTRd0noUWW |
|---|---|
| Name | 2-Fluorobenzoic acid, 3-methylbut-2-yl 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/c1-8(2)9(3)15-12(14)10-6-4-5-7-11(10)13/h4-9H,1-3H3 |
| InChIKey | LMYBEDLSYSXGEU-UHFFFAOYSA-N |
| Molecular Weight | 210.248 g/mol |
| SMILES | C1=CC=CC(=C1C(=O)OC(C(C)C)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937999 |