| SpectraBase Compound ID | JJK8ohAo1TS |
|---|---|
| InChI | InChI=1S/C21H39ClO4/c1-2-3-4-5-9-12-18-25-20(23)15-14-16-21(24)26-19-13-10-7-6-8-11-17-22/h2-19H2,1H3 |
| InChIKey | ZOQKMMLPIFBLKV-UHFFFAOYSA-N |
| Mol Weight | 391.0 g/mol |
| Molecular Formula | C21H39ClO4 |
| Exact Mass | 390.253687 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 | 5VYYB6p9Rij |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.253687432 u |
| Formula | C21H39ClO4 |
| InChI | InChI=1S/C21H39ClO4/c1-2-3-4-5-9-12-18-25-20(23)15-14-16-21(24)26-19-13-10-7-6-8-11-17-22/h2-19H2,1H3 |
| InChIKey | ZOQKMMLPIFBLKV-UHFFFAOYSA-N |
| Molecular Weight | 390.992 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OCCCCCCCCCl)=O)=O |