| SpectraBase Compound ID | 3KDP6AGN0bW |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-4-7-9-10-11-12-15-18-21-25-32-28(30)23-19-16-13-14-17-20-24-29(31)33-26-27(6-3)22-8-5-2/h27H,4-26H2,1-3H3 |
| InChIKey | CORXNMQAQGNHHJ-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 | L1RL5mHgKzu |
|---|---|
| Name | Sebacic acid, 2-ethylhexyl 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/c1-4-7-9-10-11-12-15-18-21-25-32-28(30)23-19-16-13-14-17-20-24-29(31)33-26-27(6-3)22-8-5-2/h27H,4-26H2,1-3H3 |
| InChIKey | CORXNMQAQGNHHJ-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | C(CCCCCCC(OCC(CCCC)CC)=O)CC(OCCCCCCCCCCC)=O |