| SpectraBase Compound ID | FmiDzdvVofP |
|---|---|
| InChI | InChI=1S/C22H42O5/c1-5-6-7-9-13-20(14-12-17-25-4)27-22(24)16-11-8-10-15-21(23)26-18-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey | SWFYPUNLFAINCF-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 | 9RBigQPA29R |
|---|---|
| Name | Pimelic acid, isobutyl 1-methoxydec-4-yl 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/c1-5-6-7-9-13-20(14-12-17-25-4)27-22(24)16-11-8-10-15-21(23)26-18-19(2)3/h19-20H,5-18H2,1-4H3 |
| InChIKey | SWFYPUNLFAINCF-UHFFFAOYSA-N |
| Molecular Weight | 386.573 g/mol |
| SMILES | C(OC(CCCCCC)CCCOC)(=O)CCCCCC(OCC(C)C)=O |