| SpectraBase Compound ID | LQy4Jc3FMzi |
|---|---|
| InChI | InChI=1S/C9H17ClO2/c1-3-8(2)7-12-9(11)5-4-6-10/h8H,3-7H2,1-2H3 |
| InChIKey | NWJMGBYNBSQJNK-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 | KmDdYViq7wf |
|---|---|
| Name | 4-Chlorobutyric acid, 2-methylbutyl 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/c1-3-8(2)7-12-9(11)5-4-6-10/h8H,3-7H2,1-2H3 |
| InChIKey | NWJMGBYNBSQJNK-UHFFFAOYSA-N |
| Molecular Weight | 192.686 g/mol |
| SMILES | C(CCCCl)(=O)OCC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992734 |