| SpectraBase Compound ID | LkXyb99aijL |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-5-6-7-8-9-12-19-14(17)10-11-15(18)20-13-16(2,3)4/h5-13H2,1-4H3 |
| InChIKey | DZCYEEYKFJPUEK-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8eNiJeDqtGa |
|---|---|
| Name | Succinic acid, heptyl neopentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-5-6-7-8-9-12-19-14(17)10-11-15(18)20-13-16(2,3)4/h5-13H2,1-4H3 |
| InChIKey | DZCYEEYKFJPUEK-UHFFFAOYSA-N |
| SMILES | C(OCC(C)(C)C)(=O)CCC(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808791 |