| SpectraBase Compound ID | Decwd91MfZX |
|---|---|
| InChI | InChI=1S/C26H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-29-25(27)19-16-17-20-26(28)30-23-21-24(2)3/h24H,4-23H2,1-3H3 |
| InChIKey | AGIRKMIZHVPSRD-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C26H50O4 |
| Exact Mass | 426.37091 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 | Imu9YmtLX5T |
|---|---|
| Name | Adipic acid, 3-methylbutyl pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.370910086 u |
| Formula | C26H50O4 |
| InChI | InChI=1S/C26H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-22-29-25(27)19-16-17-20-26(28)30-23-21-24(2)3/h24H,4-23H2,1-3H3 |
| InChIKey | AGIRKMIZHVPSRD-UHFFFAOYSA-N |
| Molecular Weight | 426.682 g/mol |
| SMILES | C(CC(OCCC(C)C)=O)CCC(OCCCCCCCCCCCCCCC)=O |