| SpectraBase Compound ID | KL9sB6jjala |
|---|---|
| InChI | InChI=1S/C23H36O5/c1-2-3-13-18-27-22(24)16-11-6-4-5-7-12-17-23(25)28-20-19-26-21-14-9-8-10-15-21/h8-10,14-15H,2-7,11-13,16-20H2,1H3 |
| InChIKey | QEDYRDHXNKAOOW-UHFFFAOYSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C23H36O5 |
| Exact Mass | 392.256274 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 | 6XpjQ9CmNsW |
|---|---|
| Name | Sebacic acid, pentyl 2-phenoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.256274254 u |
| Formula | C23H36O5 |
| InChI | InChI=1S/C23H36O5/c1-2-3-13-18-27-22(24)16-11-6-4-5-7-12-17-23(25)28-20-19-26-21-14-9-8-10-15-21/h8-10,14-15H,2-7,11-13,16-20H2,1H3 |
| InChIKey | QEDYRDHXNKAOOW-UHFFFAOYSA-N |
| Molecular Weight | 392.536 g/mol |
| SMILES | C(CCCCCCC(OCCCCC)=O)CC(OCCOC1=CC=CC=C1)=O |