| SpectraBase Compound ID | JuQZpH4zvVr |
|---|---|
| InChI | InChI=1S/C25H40O5/c1-3-4-5-10-13-20-29-24(26)14-11-8-6-7-9-12-15-25(27)30-21-22-16-18-23(28-2)19-17-22/h16-19H,3-15,20-21H2,1-2H3 |
| InChIKey | LIGXDCBVVWOFQY-UHFFFAOYSA-N |
| Mol Weight | 420.6 g/mol |
| Molecular Formula | C25H40O5 |
| Exact Mass | 420.287574 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 | T7soNgjRO5 |
|---|---|
| Name | Sebacic acid, heptyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.287574383 u |
| Formula | C25H40O5 |
| InChI | InChI=1S/C25H40O5/c1-3-4-5-10-13-20-29-24(26)14-11-8-6-7-9-12-15-25(27)30-21-22-16-18-23(28-2)19-17-22/h16-19H,3-15,20-21H2,1-2H3 |
| InChIKey | LIGXDCBVVWOFQY-UHFFFAOYSA-N |
| Molecular Weight | 420.590 g/mol |
| SMILES | C(CCCCCCC(OCC1=CC=C(OC)C=C1)=O)CC(OCCCCCCC)=O |