| SpectraBase Compound ID | Ju5wDxF32G5 |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-18-13(16)9-7-8-10-14(17)19-15(11(2)3)12(4)5/h11-12,15H,6-10H2,1-5H3 |
| InChIKey | IZSXMOQPGJLKDG-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 | 3jwqGGmwZsF |
|---|---|
| Name | Adipic acid, 2,4-dimethylpent-3-yl ethyl 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/c1-6-18-13(16)9-7-8-10-14(17)19-15(11(2)3)12(4)5/h11-12,15H,6-10H2,1-5H3 |
| InChIKey | IZSXMOQPGJLKDG-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)C)C(C)C)(CCCCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970857 |