| SpectraBase Compound ID | CCsQefofezT |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-7-9-11-14(10-8-2)21-16(19)17(5,6)15(18)20-12-13(3)4/h13-14H,7-12H2,1-6H3 |
| InChIKey | AIJBGEYNDVJYOQ-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J63n6n1HlWe |
|---|---|
| Name | Dimethylmalonic acid, isobutyl 4-octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-7-9-11-14(10-8-2)21-16(19)17(5,6)15(18)20-12-13(3)4/h13-14H,7-12H2,1-6H3 |
| InChIKey | AIJBGEYNDVJYOQ-UHFFFAOYSA-N |
| SMILES | CCCC(OC(=O)C(C)(C)C(OCC(C)C)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837679 |