| SpectraBase Compound ID | 3gpr5leO1CY |
|---|---|
| InChI | InChI=1S/C18H34O5/c1-14(2)13-22-17(19)9-7-6-8-10-18(20)23-16(4)15(3)11-12-21-5/h14-16H,6-13H2,1-5H3 |
| InChIKey | TWAZJLJGYDNEPC-UHFFFAOYSA-N |
| Mol Weight | 330.5 g/mol |
| Molecular Formula | C18H34O5 |
| Exact Mass | 330.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FUh3WmgIfY |
|---|---|
| Name | Pimelic acid, 5-methoxy-3-methylpent-2-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.240624190 u |
| Formula | C18H34O5 |
| InChI | InChI=1S/C18H34O5/c1-14(2)13-22-17(19)9-7-6-8-10-18(20)23-16(4)15(3)11-12-21-5/h14-16H,6-13H2,1-5H3 |
| InChIKey | TWAZJLJGYDNEPC-UHFFFAOYSA-N |
| Molecular Weight | 330.465 g/mol |
| SMILES | C(OC(C(C)CCOC)C)(=O)CCCCCC(OCC(C)C)=O |