| SpectraBase Compound ID | 1opOR6mbjBf |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-7-10(3)12(5)18-14(16)9-15(17)19-13(6)11(4)8-2/h10-13H,7-9H2,1-6H3 |
| InChIKey | VWOFDGYNPJKPDV-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 | LJHNPqj0Sha |
|---|---|
| Name | Malonic acid, di(3-methylpent-2-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/c1-7-10(3)12(5)18-14(16)9-15(17)19-13(6)11(4)8-2/h10-13H,7-9H2,1-6H3 |
| InChIKey | VWOFDGYNPJKPDV-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)CC)C)(CC(OC(C(C)CC)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981945 |