| SpectraBase Compound ID | BmM9zE1cS5e |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-3-5-7-9-10-11-12-13-16-19-23-27-33-29(31)25-21-18-15-14-17-20-24-28(30)32-26-22-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | GPRSKNYOJNFRIW-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 | 1W3oWWGgYYu |
|---|---|
| Name | Sebacic acid, hexyl tridecyl 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/c1-3-5-7-9-10-11-12-13-16-19-23-27-33-29(31)25-21-18-15-14-17-20-24-28(30)32-26-22-8-6-4-2/h3-27H2,1-2H3 |
| InChIKey | GPRSKNYOJNFRIW-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | C(CCCCCC(OCCCCCC)=O)CCC(OCCCCCCCCCCCCC)=O |