| SpectraBase Compound ID | EZDb5Ls2YaK |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | MAGQINDMZBNWLG-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8OF0rFMapyH |
|---|---|
| Name | 4-Chlorobenzylacetate;4-chlorobenzenemethanolacetate |
| 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)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | MAGQINDMZBNWLG-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C(=O)(C)OCC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.916543 |