| SpectraBase Compound ID | 61FsnDnNZps |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-12-21-16(19)10-8-7-9-11-17(20)22-14-15(2)13-18(3,4)5/h15H,6-14H2,1-5H3 |
| InChIKey | LJFKMHZLDFNQOC-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 | BiwPPQBEFwr |
|---|---|
| Name | Pimelic acid, propyl 2,4,4-trimethylpentyl 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/c1-6-12-21-16(19)10-8-7-9-11-17(20)22-14-15(2)13-18(3,4)5/h15H,6-14H2,1-5H3 |
| InChIKey | LJFKMHZLDFNQOC-UHFFFAOYSA-N |
| SMILES | C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCC)=O |