| SpectraBase Compound ID | KDDWc5telId |
|---|---|
| InChI | InChI=1S/C30H58O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-24-28-34-30(32)26-22-20-21-25-29(31)33-27-23-18-8-6-4-2/h3-28H2,1-2H3 |
| InChIKey | FIFJFWFNJJDNSL-UHFFFAOYSA-N |
| Mol Weight | 482.8 g/mol |
| Molecular Formula | C30H58O4 |
| Exact Mass | 482.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XNJxdXh6IZ |
|---|---|
| Name | Pimelic acid, heptyl hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.433510344 u |
| Formula | C30H58O4 |
| InChI | InChI=1S/C30H58O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-24-28-34-30(32)26-22-20-21-25-29(31)33-27-23-18-8-6-4-2/h3-28H2,1-2H3 |
| InChIKey | FIFJFWFNJJDNSL-UHFFFAOYSA-N |
| Molecular Weight | 482.790 g/mol |
| SMILES | C(OCCCCCCC)(=O)CCCCCC(OCCCCCCCCCCCCCCCC)=O |