| SpectraBase Compound ID | 8SyVTGIfhEi |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-3-5-7-11-17-13(15)9-8-12(14)16-10-6-4-2/h3-11H2,1-2H3 |
| InChIKey | LRKQISLMYXBIQP-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ZeQsmw0MDA |
|---|---|
| Name | Succinic acid, butyl pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.167459249 u |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-3-5-7-11-17-13(15)9-8-12(14)16-10-6-4-2/h3-11H2,1-2H3 |
| InChIKey | LRKQISLMYXBIQP-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(OCCCC)(=O)CCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970667 |