| SpectraBase Compound ID | QDD58jv5WR |
|---|---|
| InChI | InChI=1S/C12H15FO2/c1-3-4-6-9-10(12(14)15-2)7-5-8-11(9)13/h5,7-8H,3-4,6H2,1-2H3 |
| InChIKey | GJYQSIAWMPOVTD-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 | 3dm1GaniAyc |
|---|---|
| Name | Methyl 2-butyl-3-fluorobenzoate |
| 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/c1-3-4-6-9-10(12(14)15-2)7-5-8-11(9)13/h5,7-8H,3-4,6H2,1-2H3 |
| InChIKey | GJYQSIAWMPOVTD-UHFFFAOYSA-N |
| Molecular Weight | 210.248 g/mol |
| SMILES | C=1(C(=C(F)C=CC1)CCCC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826757 |