| SpectraBase Compound ID | 2UCQTsMaZmu |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-6-8-10-15(9-7-2)21-17(19)12-11-16(18)20-14(5)13(3)4/h13-15H,6-12H2,1-5H3 |
| InChIKey | SBWPLMYRVOBYRC-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 | 63ZIOz6Aj1v |
|---|---|
| Name | Succinic acid, 3-methylbut-2-yl 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/c1-6-8-10-15(9-7-2)21-17(19)12-11-16(18)20-14(5)13(3)4/h13-15H,6-12H2,1-5H3 |
| InChIKey | SBWPLMYRVOBYRC-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OC(CCCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835203 |