| SpectraBase Compound ID | 2kSTMpLbnxg |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-3-5-6-7-8-12-16-22-18(20)14-11-9-10-13-17(19)21-15-4-2/h3-16H2,1-2H3 |
| InChIKey | MYGZMFHQFNTVGX-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 379zwdxSs9Q |
|---|---|
| Name | Pimelic acid, octyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-3-5-6-7-8-12-16-22-18(20)14-11-9-10-13-17(19)21-15-4-2/h3-16H2,1-2H3 |
| InChIKey | MYGZMFHQFNTVGX-UHFFFAOYSA-N |
| SMILES | C(CCCCCC(OCCCCCCCC)=O)(OCCC)=O |