| SpectraBase Compound ID | 8F23kZLSPp1 |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-4-7-12-17-23-19(21)15-10-9-11-16-20(22)24-18(13-6-3)14-8-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | JCMJZEHJAYOOPJ-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WBdH2SpquH |
|---|---|
| Name | Pimelic acid, 4-octyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-4-7-12-17-23-19(21)15-10-9-11-16-20(22)24-18(13-6-3)14-8-5-2/h18H,4-17H2,1-3H3 |
| InChIKey | JCMJZEHJAYOOPJ-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(OC(CCCC)CCC)(=O)CCCCCC(OCCCCC)=O |