| SpectraBase Compound ID | 4P8aCIvNBG7 |
|---|---|
| InChI | InChI=1S/C9H17ClO2/c1-7(2)8(3)12-9(11)5-4-6-10/h7-8H,4-6H2,1-3H3 |
| InChIKey | UIZNZCHJGZHQLN-UHFFFAOYSA-N |
| Mol Weight | 192.69 g/mol |
| Molecular Formula | C9H17ClO2 |
| Exact Mass | 192.091707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BauurCHq2ZV |
|---|---|
| Name | 4-Chlorobutyric acid, 3-methylbutyl-2 ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.091707485 u |
| Formula | C9H17ClO2 |
| InChI | InChI=1S/C9H17ClO2/c1-7(2)8(3)12-9(11)5-4-6-10/h7-8H,4-6H2,1-3H3 |
| InChIKey | UIZNZCHJGZHQLN-UHFFFAOYSA-N |
| Molecular Weight | 192.686 g/mol |
| SMILES | CC(C)C(C)OC(CCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919171 |