| SpectraBase Compound ID | I0Gg4lLU6DV |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-2-24-20(22)16-10-5-3-4-6-11-17-21(23)25-18-12-15-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3 |
| InChIKey | FZGPZDXDSUTZSC-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 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 | EZSxkWhZiuS |
|---|---|
| Name | Sebacic acid, ethyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-2-24-20(22)16-10-5-3-4-6-11-17-21(23)25-18-12-15-19-13-8-7-9-14-19/h7-9,13-14H,2-6,10-12,15-18H2,1H3 |
| InChIKey | FZGPZDXDSUTZSC-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CCCCCCC(OCCCC1=CC=CC=C1)=O)CC(OCC)=O |