| SpectraBase Compound ID | GpMFV0Dc1cZ |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-10(14(3,4)5)18-12(16)9-13(17)19-11(2)15(6,7)8/h10-11H,9H2,1-8H3 |
| InChIKey | CTNTWNUYQRQTPR-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 | HDTxXZG5aFm |
|---|---|
| Name | Malonic acid, di(3,3-dimethylbut-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/c1-10(14(3,4)5)18-12(16)9-13(17)19-11(2)15(6,7)8/h10-11H,9H2,1-8H3 |
| InChIKey | CTNTWNUYQRQTPR-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C(C)(C)C)C)=O)(OC(C(C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988055 |