| SpectraBase Compound ID | KAy7x4lHb85 |
|---|---|
| InChI | InChI=1S/C23H42Cl2O4/c24-18-11-7-3-1-2-5-9-13-20-28-22(26)16-15-17-23(27)29-21-14-10-6-4-8-12-19-25/h1-21H2 |
| InChIKey | FOFRDBGBNCCSAN-UHFFFAOYSA-N |
| Mol Weight | 453.5 g/mol |
| Molecular Formula | C23H42Cl2O4 |
| Exact Mass | 452.246015 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 | 4uGpEOVy4Uj |
|---|---|
| Name | Glutaric acid, 10-chlorodecyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.246015228 u |
| Formula | C23H42Cl2O4 |
| InChI | InChI=1S/C23H42Cl2O4/c24-18-11-7-3-1-2-5-9-13-20-28-22(26)16-15-17-23(27)29-21-14-10-6-4-8-12-19-25/h1-21H2 |
| InChIKey | FOFRDBGBNCCSAN-UHFFFAOYSA-N |
| Molecular Weight | 453.491 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCl)=O)C(OCCCCCCCCCl)=O |