| SpectraBase Compound ID | WaqzF5qmdn |
|---|---|
| InChI | InChI=1S/C27H52O4/c1-3-5-7-9-10-11-12-13-14-16-21-25-31-27(29)23-19-17-18-22-26(28)30-24-20-15-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey | ASXGYRNMDKYTCL-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C27H52O4 |
| Exact Mass | 440.38656 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 | 4fRY8hwWkFu |
|---|---|
| Name | Pimelic acid, heptyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.386560150 u |
| Formula | C27H52O4 |
| InChI | InChI=1S/C27H52O4/c1-3-5-7-9-10-11-12-13-14-16-21-25-31-27(29)23-19-17-18-22-26(28)30-24-20-15-8-6-4-2/h3-25H2,1-2H3 |
| InChIKey | ASXGYRNMDKYTCL-UHFFFAOYSA-N |
| Molecular Weight | 440.709 g/mol |
| SMILES | C(OCCCCCCC)(=O)CCCCCC(OCCCCCCCCCCCCC)=O |