| SpectraBase Compound ID | 8qDRcrzhhlw |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-4-5-6-7-11-14-20-16(18)12-9-8-10-13-17(19)21-15(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | HRRXBKNAZNKKPA-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 | A18us3AXQat |
|---|---|
| Name | Pimelic acid, heptyl 2-propyl 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/c1-4-5-6-7-11-14-20-16(18)12-9-8-10-13-17(19)21-15(2)3/h15H,4-14H2,1-3H3 |
| InChIKey | HRRXBKNAZNKKPA-UHFFFAOYSA-N |
| SMILES | C(OC(C)C)(=O)CCCCCC(OCCCCCCC)=O |