| SpectraBase Compound ID | CbaHEmhN3te |
|---|---|
| InChI | InChI=1S/C22H33ClO4/c1-4-7-8-9-10-11-16-26-20(24)22(5-2,6-3)21(25)27-17-18-12-14-19(23)15-13-18/h12-15H,4-11,16-17H2,1-3H3 |
| InChIKey | ZDINXZUJBBTARU-UHFFFAOYSA-N |
| Mol Weight | 397.0 g/mol |
| Molecular Formula | C22H33ClO4 |
| Exact Mass | 396.206737 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 | 1Z83MmDIwZh |
|---|---|
| Name | Diethylmalonic acid, 4-chlorobenzyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.206737239 u |
| Formula | C22H33ClO4 |
| InChI | InChI=1S/C22H33ClO4/c1-4-7-8-9-10-11-16-26-20(24)22(5-2,6-3)21(25)27-17-18-12-14-19(23)15-13-18/h12-15H,4-11,16-17H2,1-3H3 |
| InChIKey | ZDINXZUJBBTARU-UHFFFAOYSA-N |
| Molecular Weight | 396.955 g/mol |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OCC1=CC=C(C=C1)Cl)=O)CC |