| SpectraBase Compound ID | 5DSS91em8hG |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-3-5-6-10-14-20-16(18)12-9-7-8-11-15(17)19-13-4-2/h3-14H2,1-2H3 |
| InChIKey | FNDVTTAHNXGNAC-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1csiHb7ly5n |
|---|---|
| Name | Pimelic acid, hexyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-3-5-6-10-14-20-16(18)12-9-7-8-11-15(17)19-13-4-2/h3-14H2,1-2H3 |
| InChIKey | FNDVTTAHNXGNAC-UHFFFAOYSA-N |
| SMILES | CCCCCCOC(=O)CCCCCC(OCCC)=O |