| SpectraBase Compound ID | 90XH7f2zLEB |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-25(27)22-19-17-18-21-24(26)28-4-2/h3-23H2,1-2H3 |
| InChIKey | PNOMQOBLKBGGHE-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LOszhAYSHgt |
|---|---|
| Name | Pimelic acid, ethyl hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-25(27)22-19-17-18-21-24(26)28-4-2/h3-23H2,1-2H3 |
| InChIKey | PNOMQOBLKBGGHE-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(OCCCCCCCCCCCCCCCC)(=O)CCCCCC(OCC)=O |