| SpectraBase Compound ID | BELLGJFo9Lr |
|---|---|
| InChI | InChI=1S/C24H38O5/c1-3-4-5-10-13-20-28-23(25)14-11-8-6-7-9-12-15-24(26)29-22-18-16-21(27-2)17-19-22/h16-19H,3-15,20H2,1-2H3 |
| InChIKey | HHGADISQVDADAL-UHFFFAOYSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C24H38O5 |
| Exact Mass | 406.271924 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 | CDWXJNOIxtq |
|---|---|
| Name | Sebacic acid, heptyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 406.271924319 u |
| Formula | C24H38O5 |
| InChI | InChI=1S/C24H38O5/c1-3-4-5-10-13-20-28-23(25)14-11-8-6-7-9-12-15-24(26)29-22-18-16-21(27-2)17-19-22/h16-19H,3-15,20H2,1-2H3 |
| InChIKey | HHGADISQVDADAL-UHFFFAOYSA-N |
| Molecular Weight | 406.563 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(OC)C=C1)=O)C(OCCCCCCC)=O |