| SpectraBase Compound ID | BWzmjxEG5Jn |
|---|---|
| InChI | InChI=1S/C22H42O5/c1-5-6-7-8-9-13-17-26-21(23)14-11-10-12-15-22(24)27-20(3)19(2)16-18-25-4/h19-20H,5-18H2,1-4H3 |
| InChIKey | UEJXCFRGHFDMMM-UHFFFAOYSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C22H42O5 |
| Exact Mass | 386.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgHjUeQh5qu |
|---|---|
| Name | Pimelic acid, 5-methoxy-3-methylpent-2-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.303224447 u |
| Formula | C22H42O5 |
| InChI | InChI=1S/C22H42O5/c1-5-6-7-8-9-13-17-26-21(23)14-11-10-12-15-22(24)27-20(3)19(2)16-18-25-4/h19-20H,5-18H2,1-4H3 |
| InChIKey | UEJXCFRGHFDMMM-UHFFFAOYSA-N |
| Molecular Weight | 386.573 g/mol |
| SMILES | C(OC(C(C)CCOC)C)(=O)CCCCCC(OCCCCCCCC)=O |