| SpectraBase Compound ID | Fo02DUmoyz9 |
|---|---|
| InChI | InChI=1S/C18H24Cl2O4/c1-2-3-4-5-11-23-17(21)7-6-8-18(22)24-13-14-9-10-15(19)12-16(14)20/h9-10,12H,2-8,11,13H2,1H3 |
| InChIKey | VGRFOSVILSJNPO-UHFFFAOYSA-N |
| Mol Weight | 375.29 g/mol |
| Molecular Formula | C18H24Cl2O4 |
| Exact Mass | 374.105165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3AnYVI6qaVI |
|---|---|
| Name | Glutaric acid, 2,4-dichlorobenzyl hexyl 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/c1-2-3-4-5-11-23-17(21)7-6-8-18(22)24-13-14-9-10-15(19)12-16(14)20/h9-10,12H,2-8,11,13H2,1H3 |
| InChIKey | VGRFOSVILSJNPO-UHFFFAOYSA-N |
| Molecular Weight | 375.292 g/mol |
| SMILES | C(OCC1=C(C=C(C=C1)Cl)Cl)(=O)CCCC(OCCCCCC)=O |