| SpectraBase Compound ID | 1pqjgQPjPCN |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-7-8-9-13(2)20-15(18)11-10-14(17)19-12-16(3,4)5/h13H,6-12H2,1-5H3 |
| InChIKey | OOPACKDZENWDQK-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 | EnMyYegSvGV |
|---|---|
| Name | Succinic acid, hept-2-yl 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/c1-6-7-8-9-13(2)20-15(18)11-10-14(17)19-12-16(3,4)5/h13H,6-12H2,1-5H3 |
| InChIKey | OOPACKDZENWDQK-UHFFFAOYSA-N |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962391 |