| SpectraBase Compound ID | GApHVo1HPcz |
|---|---|
| InChI | InChI=1S/C31H60O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-34-29(32)25-22-19-16-17-20-23-26-30(33)35-28-31(2,3)4/h5-28H2,1-4H3 |
| InChIKey | XQPFOPKBZVDGEB-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 | AXRpE54hZeT |
|---|---|
| Name | Sebacic acid, hexadecyl neopentyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-27-34-29(32)25-22-19-16-17-20-23-26-30(33)35-28-31(2,3)4/h5-28H2,1-4H3 |
| InChIKey | XQPFOPKBZVDGEB-UHFFFAOYSA-N |
| Molecular Weight | 496.817 g/mol |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCCCCCCCCCCCCC)=O |