| SpectraBase Compound ID | 2JY7bBLijry |
|---|---|
| InChI | InChI=1S/C31H60O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-25-29-35-31(33)27-23-21-22-26-30(32)34-28-24-19-8-6-4-2/h3-29H2,1-2H3 |
| InChIKey | YSYXEOLMIUVXKY-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 | 9qJkJrIcUfz |
|---|---|
| Name | Pimelic acid, heptadecyl heptyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-25-29-35-31(33)27-23-21-22-26-30(32)34-28-24-19-8-6-4-2/h3-29H2,1-2H3 |
| InChIKey | YSYXEOLMIUVXKY-UHFFFAOYSA-N |
| Molecular Weight | 496.817 g/mol |
| SMILES | C(OCCCCCCC)(=O)CCCCCC(OCCCCCCCCCCCCCCCCC)=O |