| SpectraBase Compound ID | JszHZuCxgW1 |
|---|---|
| InChI | InChI=1S/C9H17ClO4/c1-8(2,6-10)7(11)9(12-3,13-4)14-5/h6H2,1-5H3 |
| InChIKey | MIFNRVOPTLAOBT-UHFFFAOYSA-N |
| Mol Weight | 224.68 g/mol |
| Molecular Formula | C9H17ClO4 |
| Exact Mass | 224.081537 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dw1YvTefQxV |
|---|---|
| Name | 4-Chloro-1,1,1-trimethoxy-3,3-dimethyl-2-butanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.081536723 u |
| Formula | C9H17ClO4 |
| InChI | InChI=1S/C9H17ClO4/c1-8(2,6-10)7(11)9(12-3,13-4)14-5/h6H2,1-5H3 |
| InChIKey | MIFNRVOPTLAOBT-UHFFFAOYSA-N |
| Molecular Weight | 224.684 g/mol |
| SMILES | C(C(C(CCl)(C)C)=O)(OC)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.865706 |