| SpectraBase Compound ID | 5iI7T2trwnB |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | ANPPGQUFDXLAGY-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 | 2c8ZzKt3dYI |
|---|---|
| Name | 2-Chloroethanol, benzoate |
| 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/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | ANPPGQUFDXLAGY-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C1=CC=CC(=C1)C(OCCCl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.956127 |