| SpectraBase Compound ID | zFVXeXByid |
|---|---|
| InChI | InChI=1S/C9H8ClFO2/c1-6(12)13-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3 |
| InChIKey | KQBYGGLCXYXLCP-UHFFFAOYSA-N |
| Mol Weight | 202.61 g/mol |
| Molecular Formula | C9H8ClFO2 |
| Exact Mass | 202.019685 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JWthBWkGJVe |
|---|---|
| Name | 2-Chloro-6-fluorobenzyl alcohol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.019685359 u |
| Formula | C9H8ClFO2 |
| InChI | InChI=1S/C9H8ClFO2/c1-6(12)13-5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3 |
| InChIKey | KQBYGGLCXYXLCP-UHFFFAOYSA-N |
| Molecular Weight | 202.612 g/mol |
| SMILES | C1(=C(C=CC=C1F)Cl)COC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933497 |