| SpectraBase Compound ID | 3stq4BgRaL2 |
|---|---|
| InChI | InChI=1S/C10H17ClO2/c11-8-4-7-10(12)13-9-5-2-1-3-6-9/h9H,1-8H2 |
| InChIKey | JFVJNSGGFOFSRK-UHFFFAOYSA-N |
| Mol Weight | 204.7 g/mol |
| Molecular Formula | C10H17ClO2 |
| Exact Mass | 204.091707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 39am8Vwc6Aj |
|---|---|
| Name | 4-Chlorobutyric acid, cyclohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.091707485 u |
| Formula | C10H17ClO2 |
| InChI | InChI=1S/C10H17ClO2/c11-8-4-7-10(12)13-9-5-2-1-3-6-9/h9H,1-8H2 |
| InChIKey | JFVJNSGGFOFSRK-UHFFFAOYSA-N |
| Molecular Weight | 204.697 g/mol |
| SMILES | C(C(=O)OC1CCCCC1)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973118 |