| SpectraBase Compound ID | C6m9j7h8jo0 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-8-9-12-19-14(17)10-11-15(18)20-13(7-2)16(3,4)5/h13H,6-12H2,1-5H3 |
| InChIKey | NMYSJCPZBRUXMB-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 | DmGxW5JmcoP |
|---|---|
| Name | Succinic acid, 2,2-dimethylpent-3-yl pentyl 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/c1-6-8-9-12-19-14(17)10-11-15(18)20-13(7-2)16(3,4)5/h13H,6-12H2,1-5H3 |
| InChIKey | NMYSJCPZBRUXMB-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C(C)(C)C)CC)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965231 |