| SpectraBase Compound ID | 31DPmlK9yHR |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-4-7-8-9-10-11-12-13-16-21-27-23(25)19-14-15-20-24(26)28-22(17-5-2)18-6-3/h22H,4-21H2,1-3H3 |
| InChIKey | WESBMZMRMFHGTH-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 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 | BnwHQwoTtP2 |
|---|---|
| Name | Adipic acid, 4-heptyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-4-7-8-9-10-11-12-13-16-21-27-23(25)19-14-15-20-24(26)28-22(17-5-2)18-6-3/h22H,4-21H2,1-3H3 |
| InChIKey | WESBMZMRMFHGTH-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(CCC(OC(CCC)CCC)=O)CC(OCCCCCCCCCCC)=O |