| SpectraBase Compound ID | 9FFKrwUFnso |
|---|---|
| InChI | InChI=1S/C11H19ClO2/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10/h10H,1-9H2 |
| InChIKey | RHJHMXCSXWBNAI-UHFFFAOYSA-N |
| Mol Weight | 218.72 g/mol |
| Molecular Formula | C11H19ClO2 |
| Exact Mass | 218.107358 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KxmQViA4f2B |
|---|---|
| Name | 4-Chlorobutyric acid, cyclohexylmethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.107357550 u |
| Formula | C11H19ClO2 |
| InChI | InChI=1S/C11H19ClO2/c12-8-4-7-11(13)14-9-10-5-2-1-3-6-10/h10H,1-9H2 |
| InChIKey | RHJHMXCSXWBNAI-UHFFFAOYSA-N |
| Molecular Weight | 218.724 g/mol |
| SMILES | C(C(=O)OCC1CCCCC1)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98551 |