| SpectraBase Compound ID | IFbGPTY8upZ |
|---|---|
| InChI | InChI=1S/C9H15ClO3/c1-6(2)5-13-8(12)9(3,4)7(10)11/h6H,5H2,1-4H3 |
| InChIKey | GOYWSOYAZVNGHL-UHFFFAOYSA-N |
| Mol Weight | 206.67 g/mol |
| Molecular Formula | C9H15ClO3 |
| Exact Mass | 206.070972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FWi3UGFdKC3 |
|---|---|
| Name | Dimethylmalonic acid, monochloride, isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.070972040 u |
| Formula | C9H15ClO3 |
| InChI | InChI=1S/C9H15ClO3/c1-6(2)5-13-8(12)9(3,4)7(10)11/h6H,5H2,1-4H3 |
| InChIKey | GOYWSOYAZVNGHL-UHFFFAOYSA-N |
| Molecular Weight | 206.669 g/mol |
| SMILES | CC(C)COC(=O)C(C)(C)C(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806886 |