| SpectraBase Compound ID | L9cBBb6w1y3 |
|---|---|
| InChI | InChI=1S/C10H11FO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3 |
| InChIKey | JJKWPJLUIOYOFQ-UHFFFAOYSA-N |
| Mol Weight | 182.19 g/mol |
| Molecular Formula | C10H11FO2 |
| Exact Mass | 182.074308 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KK5YcE3fsUD |
|---|---|
| Name | 3-Fluorobenzoic acid, isopropyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.074307755 u |
| Formula | C10H11FO2 |
| InChI | InChI=1S/C10H11FO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3 |
| InChIKey | JJKWPJLUIOYOFQ-UHFFFAOYSA-N |
| Molecular Weight | 182.194 g/mol |
| SMILES | CC(C)OC(=O)C=1C=CC=C(F)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951435 |