| SpectraBase Compound ID | LsXidNXHBW5 |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-9-11-12(10-7-2)19-14(17)15(4,5)13(16)18-8-3/h12H,6-11H2,1-5H3 |
| InChIKey | CFNFZWUUMLFLJB-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 | 5E0BLe77vzQ |
|---|---|
| Name | Dimethylmalonic acid, ethyl 4-octyl 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/c1-6-9-11-12(10-7-2)19-14(17)15(4,5)13(16)18-8-3/h12H,6-11H2,1-5H3 |
| InChIKey | CFNFZWUUMLFLJB-UHFFFAOYSA-N |
| SMILES | CCCCC(OC(=O)C(C)(C)C(OCC)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952712 |