| SpectraBase Compound ID | 2MVTDABl8Pd |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-3-5-7-11-15-21-17(19)13-10-8-9-12-16(18)20-14-6-4-2/h3-15H2,1-2H3 |
| InChIKey | YBJRFLQZQCKWLV-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5x9oIOZAs9m |
|---|---|
| Name | Pimelic acid, butyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-3-5-7-11-15-21-17(19)13-10-8-9-12-16(18)20-14-6-4-2/h3-15H2,1-2H3 |
| InChIKey | YBJRFLQZQCKWLV-UHFFFAOYSA-N |
| SMILES | CCCCCCOC(=O)CCCCCC(OCCCC)=O |