| SpectraBase Compound ID | AtVjBG9Ct9H |
|---|---|
| InChI | InChI=1S/C8H15ClO2/c1-8(2,3)7(10)6(5-9)11-4/h6H,5H2,1-4H3 |
| InChIKey | ZEHCYCSYOQLPDC-UHFFFAOYSA-N |
| Mol Weight | 178.66 g/mol |
| Molecular Formula | C8H15ClO2 |
| Exact Mass | 178.076057 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IZd20AK7pYJ |
|---|---|
| Name | 1-Chloro-2-methoxy-4,4-dimethylpentane-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.076057421 u |
| Formula | C8H15ClO2 |
| InChI | InChI=1S/C8H15ClO2/c1-8(2,3)7(10)6(5-9)11-4/h6H,5H2,1-4H3 |
| InChIKey | ZEHCYCSYOQLPDC-UHFFFAOYSA-N |
| Molecular Weight | 178.659 g/mol |
| SMILES | C(C(C(C(C)(C)C)=O)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814468 |