| SpectraBase Compound ID | 4dqyp6zRFAA |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-14-7-8-16(13-15(14)2)23-18(21)10-9-17(20)22-12-6-4-3-5-11-19/h7-8,13H,3-6,9-12H2,1-2H3 |
| InChIKey | KXQXSHCDMNRACU-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 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 | 2hVq68oxpcx |
|---|---|
| Name | Succinic acid, 3,4-dimethylphenyl 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-14-7-8-16(13-15(14)2)23-18(21)10-9-17(20)22-12-6-4-3-5-11-19/h7-8,13H,3-6,9-12H2,1-2H3 |
| InChIKey | KXQXSHCDMNRACU-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | C1=CC(=CC(=C1C)C)OC(=O)CCC(=O)OCCCCCCCl |