| SpectraBase Compound ID | KvznntBo3sB |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-7-12(11(5)6)19-14(17)15(8-2,9-3)13(16)18-10-4/h11-12H,7-10H2,1-6H3 |
| InChIKey | MFMXGMMODFDDER-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 | CVtSIiiU9XK |
|---|---|
| Name | Diethylmalonic acid, ethyl 2-methylpent-3-yl 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/c1-7-12(11(5)6)19-14(17)15(8-2,9-3)13(16)18-10-4/h11-12H,7-10H2,1-6H3 |
| InChIKey | MFMXGMMODFDDER-UHFFFAOYSA-N |
| SMILES | C(C(C(OCC)=O)(CC)CC)(OC(C(C)C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968866 |