| SpectraBase Compound ID | 29GaE8ywODn |
|---|---|
| InChI | InChI=1S/C22H33ClO4/c1-3-4-5-6-7-8-10-18(2)27-22(25)12-9-11-21(24)26-17-19-13-15-20(23)16-14-19/h13-16,18H,3-12,17H2,1-2H3 |
| InChIKey | UULGRTLYZFNJLJ-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 | 7nKpsLxHpSt |
|---|---|
| Name | Glutaric acid, dec-2-yl 4-chlorobenzyl 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/c1-3-4-5-6-7-8-10-18(2)27-22(25)12-9-11-21(24)26-17-19-13-15-20(23)16-14-19/h13-16,18H,3-12,17H2,1-2H3 |
| InChIKey | UULGRTLYZFNJLJ-UHFFFAOYSA-N |
| Molecular Weight | 396.955 g/mol |
| SMILES | C(CCC(OC(CCCCCCCC)C)=O)C(OCC1=CC=C(C=C1)Cl)=O |