| SpectraBase Compound ID | 1wZD1Ky9L5D |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-10(2)9-18-13(16)7-8-14(17)19-15(11(3)4)12(5)6/h10-12,15H,7-9H2,1-6H3 |
| InChIKey | JCEQVOKJHWRCKG-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 | JdxTsOxFOqu |
|---|---|
| Name | Succinic acid, 2,4-dimethylpent-3-yl isobutyl 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/c1-10(2)9-18-13(16)7-8-14(17)19-15(11(3)4)12(5)6/h10-12,15H,7-9H2,1-6H3 |
| InChIKey | JCEQVOKJHWRCKG-UHFFFAOYSA-N |
| SMILES | C(OC(C(C)C)C(C)C)(CCC(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983312 |