| SpectraBase Compound ID | CWzygzvPwFU |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-3-5-7-9-10-11-13-18-22-28-24(26)20-16-14-15-19-23(25)27-21-17-12-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | GBPGOQJKWKQXTL-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 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 | FKnw6LtNZXf |
|---|---|
| Name | Pimelic acid, decyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-3-5-7-9-10-11-13-18-22-28-24(26)20-16-14-15-19-23(25)27-21-17-12-8-6-4-2/h3-22H2,1-2H3 |
| InChIKey | GBPGOQJKWKQXTL-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(OCCCCCCC)(=O)CCCCCC(OCCCCCCCCCC)=O |