| SpectraBase Compound ID | K7wa0B8Rks1 |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-3-5-7-9-11-13-15-17-22-26-32-28(30)24-20-19-21-25-29(31)33-27-23-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | LNTVZACULMWNJH-UHFFFAOYSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C29H56O4 |
| Exact Mass | 468.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5zR5OM21zfK |
|---|---|
| Name | Pimelic acid, di(undecyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.417860279 u |
| Formula | C29H56O4 |
| InChI | InChI=1S/C29H56O4/c1-3-5-7-9-11-13-15-17-22-26-32-28(30)24-20-19-21-25-29(31)33-27-23-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | LNTVZACULMWNJH-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | C(OCCCCCCCCCCC)(=O)CCCCCC(OCCCCCCCCCCC)=O |