| SpectraBase Compound ID | 5MVg3dkG6FY |
|---|---|
| InChI | InChI=1S/C20H28O5/c1-3-24-19(22)14-8-6-4-5-7-9-15-20(23)25-18-13-11-10-12-17(18)16(2)21/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | FFLJEEACDXMDSV-UHFFFAOYSA-N |
| Mol Weight | 348.44 g/mol |
| Molecular Formula | C20H28O5 |
| Exact Mass | 348.193674 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 | 73JOeABCskj |
|---|---|
| Name | Sebacic acid, 2-acetylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.193673997 u |
| Formula | C20H28O5 |
| InChI | InChI=1S/C20H28O5/c1-3-24-19(22)14-8-6-4-5-7-9-15-20(23)25-18-13-11-10-12-17(18)16(2)21/h10-13H,3-9,14-15H2,1-2H3 |
| InChIKey | FFLJEEACDXMDSV-UHFFFAOYSA-N |
| Molecular Weight | 348.439 g/mol |
| SMILES | C(CCCCC(OC1=C(C(C)=O)C=CC=C1)=O)CCCC(OCC)=O |