| SpectraBase Compound ID | 4PMgVR7N3ay |
|---|---|
| InChI | InChI=1S/C18H24Cl2O4/c1-2-23-16(21)12-7-5-3-4-6-8-13-17(22)24-18-14(19)10-9-11-15(18)20/h9-11H,2-8,12-13H2,1H3 |
| InChIKey | CEQJWUNFXAGIKB-UHFFFAOYSA-N |
| Mol Weight | 375.29 g/mol |
| Molecular Formula | C18H24Cl2O4 |
| Exact Mass | 374.105165 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 | I57k2wotROH |
|---|---|
| Name | Sebacic acid, 2,6-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.105164649 u |
| Formula | C18H24Cl2O4 |
| InChI | InChI=1S/C18H24Cl2O4/c1-2-23-16(21)12-7-5-3-4-6-8-13-17(22)24-18-14(19)10-9-11-15(18)20/h9-11H,2-8,12-13H2,1H3 |
| InChIKey | CEQJWUNFXAGIKB-UHFFFAOYSA-N |
| Molecular Weight | 375.292 g/mol |
| SMILES | C(CCCCCCC(OC1=C(C=CC=C1Cl)Cl)=O)CC(OCC)=O |