| SpectraBase Compound ID | FMOoms1UBIQ |
|---|---|
| InChI | InChI=1S/C21H38O4/c1-3-5-7-12-15-19-25-21(23)17-14-11-9-8-10-13-16-20(22)24-18-6-4-2/h4,6H,3,5,7-19H2,1-2H3/b6-4+ |
| InChIKey | WYMVKZIIFMRLCU-GQCTYLIASA-N |
| Mol Weight | 354.5 g/mol |
| Molecular Formula | C21H38O4 |
| Exact Mass | 354.27701 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 | K8FdUFu0OqK |
|---|---|
| Name | Sebacic acid, but-2-enyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.277009700 u |
| Formula | C21H38O4 |
| InChI | InChI=1S/C21H38O4/c1-3-5-7-12-15-19-25-21(23)17-14-11-9-8-10-13-16-20(22)24-18-6-4-2/h4,6H,3,5,7-19H2,1-2H3/b6-4+ |
| InChIKey | WYMVKZIIFMRLCU-GQCTYLIASA-N |
| Molecular Weight | 354.531 g/mol |
| SMILES | C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCCCC)=O |