| SpectraBase Compound ID | 8Fx6ggff8xK |
|---|---|
| InChI | InChI=1S/C14H26O4/c1-11(2)7-5-9-17-13(15)14(16)18-10-6-8-12(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | DTRJGDBMBSNVJZ-UHFFFAOYSA-N |
| Mol Weight | 258.36 g/mol |
| Molecular Formula | C14H26O4 |
| Exact Mass | 258.183109 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EhRdtsSRhez |
|---|---|
| Name | Oxalic acid, diisohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.183109313 u |
| Formula | C14H26O4 |
| InChI | InChI=1S/C14H26O4/c1-11(2)7-5-9-17-13(15)14(16)18-10-6-8-12(3)4/h11-12H,5-10H2,1-4H3 |
| InChIKey | DTRJGDBMBSNVJZ-UHFFFAOYSA-N |
| Molecular Weight | 258.358 g/mol |
| SMILES | CC(C)CCCOC(C(=O)OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96799 |