| SpectraBase Compound ID | JZc9awJQbsV |
|---|---|
| InChI | InChI=1S/C20H27NO4/c1-2-15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(16-21)12-14-18/h11-14H,2-10,15H2,1H3 |
| InChIKey | DBPHHYFCLLFMEG-UHFFFAOYSA-N |
| Mol Weight | 345.44 g/mol |
| Molecular Formula | C20H27NO4 |
| Exact Mass | 345.194008 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 | 8hzOxeQ0kuv |
|---|---|
| Name | Sebacic acid, 4-cyanophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.194008349 u |
| Formula | C20H27NO4 |
| InChI | InChI=1S/C20H27NO4/c1-2-15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(16-21)12-14-18/h11-14H,2-10,15H2,1H3 |
| InChIKey | DBPHHYFCLLFMEG-UHFFFAOYSA-N |
| Molecular Weight | 345.439 g/mol |
| SMILES | C(CCCCC(OC1=CC=C(C#N)C=C1)=O)CCCC(OCCC)=O |