| SpectraBase Compound ID | 3mFJCPuft5Z |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-6-10-13-21-17(19)11-8-7-9-12-18(20)22-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | DDIMGLSGSNLMQK-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 | 6bYt2EzEFDF |
|---|---|
| Name | Pimelic acid, 4-methyl-2-pentyl pentyl 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/c1-5-6-10-13-21-17(19)11-8-7-9-12-18(20)22-16(4)14-15(2)3/h15-16H,5-14H2,1-4H3 |
| InChIKey | DDIMGLSGSNLMQK-UHFFFAOYSA-N |
| SMILES | C(OCCCCC)(=O)CCCCCC(OC(CC(C)C)C)=O |