| SpectraBase Compound ID | 3GTotPln9f |
|---|---|
| InChI | InChI=1S/C21H40O4/c1-4-6-13-17-24-20(22)14-11-9-7-8-10-12-15-21(23)25-18-16-19(3)5-2/h19H,4-18H2,1-3H3 |
| InChIKey | UUFKGAIXFZHZED-UHFFFAOYSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C21H40O4 |
| Exact Mass | 356.29266 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 | LNBwCaU7lQI |
|---|---|
| Name | Sebacic acid, 3-methylpentyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.292659764 u |
| Formula | C21H40O4 |
| InChI | InChI=1S/C21H40O4/c1-4-6-13-17-24-20(22)14-11-9-7-8-10-12-15-21(23)25-18-16-19(3)5-2/h19H,4-18H2,1-3H3 |
| InChIKey | UUFKGAIXFZHZED-UHFFFAOYSA-N |
| Molecular Weight | 356.547 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCC)=O)(OCCC(CC)C)=O |