| SpectraBase Compound ID | HSlcUvDpat0 |
|---|---|
| InChI | InChI=1S/C21H31ClO4/c1-2-15-25-20(23)12-7-5-3-4-6-8-13-21(24)26-16-14-18-10-9-11-19(22)17-18/h9-11,17H,2-8,12-16H2,1H3 |
| InChIKey | MSWCXRZCIMEZBL-UHFFFAOYSA-N |
| Mol Weight | 382.93 g/mol |
| Molecular Formula | C21H31ClO4 |
| Exact Mass | 382.191087 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 | gefu7RDajh |
|---|---|
| Name | Sebacic acid, 3-chlorophenethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.191087174 u |
| Formula | C21H31ClO4 |
| InChI | InChI=1S/C21H31ClO4/c1-2-15-25-20(23)12-7-5-3-4-6-8-13-21(24)26-16-14-18-10-9-11-19(22)17-18/h9-11,17H,2-8,12-16H2,1H3 |
| InChIKey | MSWCXRZCIMEZBL-UHFFFAOYSA-N |
| Molecular Weight | 382.928 g/mol |
| SMILES | C(CCCCCCCC(OCCC1=CC(=CC=C1)Cl)=O)C(OCCC)=O |