| SpectraBase Compound ID | CvBE8hcaOPG |
|---|---|
| InChI | InChI=1S/C9H9FO2/c1-7(11)12-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3 |
| InChIKey | LVEUCRHYUFCCSC-UHFFFAOYSA-N |
| Mol Weight | 168.17 g/mol |
| Molecular Formula | C9H9FO2 |
| Exact Mass | 168.058658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4zmcNSAZZlg |
|---|---|
| Name | 2-Fluorobenzyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.058657691 u |
| Formula | C9H9FO2 |
| InChI | InChI=1S/C9H9FO2/c1-7(11)12-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3 |
| InChIKey | LVEUCRHYUFCCSC-UHFFFAOYSA-N |
| Molecular Weight | 168.167 g/mol |
| SMILES | C1(=C(C=CC=C1)COC(C)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882978 |