| SpectraBase Compound ID | IRn4ofU31aX |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-14-17-20-23-30-26(28)21-18-15-12-13-16-19-22-27(29)31-24-25(2)3/h25H,4-24H2,1-3H3 |
| InChIKey | DVCBAUXNSZHAOY-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H52O4 |
| Exact Mass | 440.38656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8Pheod4CSxF |
|---|---|
| Name | Sebacic acid, isobutyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.386560150 u |
| Formula | C27H52O4 |
| InChI | InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-14-17-20-23-30-26(28)21-18-15-12-13-16-19-22-27(29)31-24-25(2)3/h25H,4-24H2,1-3H3 |
| InChIKey | DVCBAUXNSZHAOY-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(CCCCCCC(OCC(C)C)=O)CC(OCCCCCCCCCCCCC)=O |