| SpectraBase Compound ID | GM72DUVDYRA |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-7-8-9-10-18-12(16)15(5,6)13(17)19-11-14(2,3)4/h7-11H2,1-6H3 |
| InChIKey | ZVKYKSQPTRELSZ-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 | 7YtRoCaFIKj |
|---|---|
| Name | Dimethylmalonic acid, neopentyl 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/c1-7-8-9-10-18-12(16)15(5,6)13(17)19-11-14(2,3)4/h7-11H2,1-6H3 |
| InChIKey | ZVKYKSQPTRELSZ-UHFFFAOYSA-N |
| SMILES | CCCCCOC(C(C(=O)OCC(C)(C)C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824174 |