| SpectraBase Compound ID | JV7UHh3SdLd |
|---|---|
| InChI | InChI=1S/C31H60O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-34-30(32)26-21-22-27-31(33)35-29(24-5-2)25-6-3/h29H,4-28H2,1-3H3 |
| InChIKey | QIZDOVAHLZUPBT-UHFFFAOYSA-N |
| Mol Weight | 496.8 g/mol |
| Molecular Formula | C31H60O4 |
| Exact Mass | 496.44916 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 | 3Qyxh0GSGbs |
|---|---|
| Name | Adipic acid, 4-heptyl octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 496.449160408 u |
| Formula | C31H60O4 |
| InChI | InChI=1S/C31H60O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-34-30(32)26-21-22-27-31(33)35-29(24-5-2)25-6-3/h29H,4-28H2,1-3H3 |
| InChIKey | QIZDOVAHLZUPBT-UHFFFAOYSA-N |
| Molecular Weight | 496.817 g/mol |
| SMILES | C(CCC(OC(CCC)CCC)=O)CC(OCCCCCCCCCCCCCCCCCC)=O |