| SpectraBase Compound ID | EfuXFhv2HmS |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-7-8-9-18-13(16)10-14(17)19-15(11(2)3)12(4)5/h11-12,15H,6-10H2,1-5H3 |
| InChIKey | FPIIEKZBRZSDAC-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 | A92h0AaGJav |
|---|---|
| Name | Malonic acid, 2,4-dimethylpent-3-yl 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/c1-6-7-8-9-18-13(16)10-14(17)19-15(11(2)3)12(4)5/h11-12,15H,6-10H2,1-5H3 |
| InChIKey | FPIIEKZBRZSDAC-UHFFFAOYSA-N |
| SMILES | C(C(OC(C(C)C)C(C)C)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837501 |