| SpectraBase Compound ID | 5SB4kIwXiFl |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-8-13(7-2)19-15(17)10-9-14(16)18-12(5)11(3)4/h11-13H,6-10H2,1-5H3 |
| InChIKey | DJNRECWAXCLCNX-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 | 2pvq86iIzl8 |
|---|---|
| Name | Succinic acid, 3-methylbut-2-yl 3-hexyl 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/c1-6-8-13(7-2)19-15(17)10-9-14(16)18-12(5)11(3)4/h11-13H,6-10H2,1-5H3 |
| InChIKey | DJNRECWAXCLCNX-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OC(CCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849631 |