| SpectraBase Compound ID | H3XpvY33zAI |
|---|---|
| InChI | InChI=1S/C24H38O4/c1-4-5-12-19-27-23(25)13-10-8-6-7-9-11-14-24(26)28-22-17-15-21(16-18-22)20(2)3/h15-18,20H,4-14,19H2,1-3H3 |
| InChIKey | QBEMSLAVNDMBIV-UHFFFAOYSA-N |
| Mol Weight | 390.6 g/mol |
| Molecular Formula | C24H38O4 |
| Exact Mass | 390.27701 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 | HQRQlZr4hbs |
|---|---|
| Name | Sebacic acid, 4-isopropylphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.277009700 u |
| Formula | C24H38O4 |
| InChI | InChI=1S/C24H38O4/c1-4-5-12-19-27-23(25)13-10-8-6-7-9-11-14-24(26)28-22-17-15-21(16-18-22)20(2)3/h15-18,20H,4-14,19H2,1-3H3 |
| InChIKey | QBEMSLAVNDMBIV-UHFFFAOYSA-N |
| Molecular Weight | 390.564 g/mol |
| SMILES | C(CCCCCCCC(OC=1C=CC(C(C)C)=CC1)=O)C(OCCCCC)=O |