| SpectraBase Compound ID | JmXoKL3VrFu |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-12(2)8-7-10-19-14(17)16(5,6)15(18)20-11-9-13(3)4/h12-13H,7-11H2,1-6H3 |
| InChIKey | CKGBPYWHBQGZGV-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7vCabO1xpog |
|---|---|
| Name | Dimethylmalonic acid, isohexyl 3-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-12(2)8-7-10-19-14(17)16(5,6)15(18)20-11-9-13(3)4/h12-13H,7-11H2,1-6H3 |
| InChIKey | CKGBPYWHBQGZGV-UHFFFAOYSA-N |
| SMILES | CC(CCOC(=O)C(C)(C)C(OCCCC(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96933 |