| SpectraBase Compound ID | 2HKwUXb6knH |
|---|---|
| InChI | InChI=1S/C6H11ClO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3 |
| InChIKey | QSGCJQBBHYWZHS-UHFFFAOYSA-N |
| Mol Weight | 150.6 g/mol |
| Molecular Formula | C6H11ClO2 |
| Exact Mass | 150.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2nKk5xluibD |
|---|---|
| Name | Acetic acid, chloro-, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.044757292 u |
| Formula | C6H11ClO2 |
| InChI | InChI=1S/C6H11ClO2/c1-5(2)4-9-6(8)3-7/h5H,3-4H2,1-2H3 |
| InChIKey | QSGCJQBBHYWZHS-UHFFFAOYSA-N |
| SMILES | CC(C)COC(=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930193 |