| SpectraBase Compound ID | 9BncjjI1Wp9 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-4-9-14(3)13-20-16(18)11-8-6-7-10-15(17)19-12-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | SQBOFQKGDLVHEL-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 | C2YK8gYZDlg |
|---|---|
| Name | Pimelic acid, 2-methylpentyl propyl 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/c1-4-9-14(3)13-20-16(18)11-8-6-7-10-15(17)19-12-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | SQBOFQKGDLVHEL-UHFFFAOYSA-N |
| SMILES | C(OCC(C)CCC)(=O)CCCCCC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925331 |