| SpectraBase Compound ID | 9iomdDFcv0R |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | GDBMWSHYPYKDED-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 | LAOukq5Rnek |
|---|---|
| Name | 3-Ethoxybenzoyl chloride |
| 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/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3 |
| InChIKey | GDBMWSHYPYKDED-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C1=C(C=CC=C1C(Cl)=O)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.777665 |