| SpectraBase Compound ID | GZBlAeHyAeO |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-9-10-11-18-13(16)15(7-2,8-3)14(17)19-12(4)5/h12H,6-11H2,1-5H3 |
| InChIKey | HNJQYKQWCBGSLR-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IjlmZMOGglX |
|---|---|
| Name | Diethylmalonic acid, isopropyl pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-6-9-10-11-18-13(16)15(7-2,8-3)14(17)19-12(4)5/h12H,6-11H2,1-5H3 |
| InChIKey | HNJQYKQWCBGSLR-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCCCC)=O)(C(OC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975998 |