| SpectraBase Compound ID | 5zVEYfT91S4 |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3 |
| InChIKey | DFBZHQBJMFLYJF-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1ghabw5Dxi9 |
|---|---|
| Name | (4-Chlorophenoxy)acetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.029107228 u |
| Formula | C9H9ClO2 |
| InChI | InChI=1S/C9H9ClO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3 |
| InChIKey | DFBZHQBJMFLYJF-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C1(=CC=C(C=C1)OCC(=O)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965038 |