| SpectraBase Compound ID | LV6Toyinrhl |
|---|---|
| InChI | InChI=1S/C9H15ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h8H,1-7H2 |
| InChIKey | BYAGDENSDHECRE-UHFFFAOYSA-N |
| Mol Weight | 190.67 g/mol |
| Molecular Formula | C9H15ClO2 |
| Exact Mass | 190.076057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1IGJFOzNwYj |
|---|---|
| Name | Cyclohexanecarboxylic acid, 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.076057421 u |
| Formula | C9H15ClO2 |
| InChI | InChI=1S/C9H15ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h8H,1-7H2 |
| InChIKey | BYAGDENSDHECRE-UHFFFAOYSA-N |
| Molecular Weight | 190.670 g/mol |
| SMILES | C1C(CCCC1)C(=O)OCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88027 |