| SpectraBase Compound ID | FI5Pn6UuyWw |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-11-13(12-7-2)20-15(18)16(8-3,9-4)14(17)19-10-5/h13H,6-12H2,1-5H3 |
| InChIKey | CBJJESCUQCWXAA-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 | 6epw6E6Cnzn |
|---|---|
| Name | Diethylmalonic acid, ethyl hept-4-yl 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/c1-6-11-13(12-7-2)20-15(18)16(8-3,9-4)14(17)19-10-5/h13H,6-12H2,1-5H3 |
| InChIKey | CBJJESCUQCWXAA-UHFFFAOYSA-N |
| SMILES | CCC(C(OCC)=O)(C(OC(CCC)CCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989868 |