| SpectraBase Compound ID | FddO2LEgYbw |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-4-7-9-10-11-12-13-16-19-22-26-32-28(30)24-20-17-14-15-18-21-25-29(31)33-27(6-3)23-8-5-2/h27H,4-26H2,1-3H3 |
| InChIKey | OKCFLNXYJSMZCQ-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 | EHQtqmmdcTI |
|---|---|
| Name | Sebacic acid, dodecyl 3-heptyl 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/c1-4-7-9-10-11-12-13-16-19-22-26-32-28(30)24-20-17-14-15-18-21-25-29(31)33-27(6-3)23-8-5-2/h27H,4-26H2,1-3H3 |
| InChIKey | OKCFLNXYJSMZCQ-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCCCCC)=O)(OC(CCCC)CC)=O |