| SpectraBase Compound ID | BsOLDtXSLOc |
|---|---|
| InChI | InChI=1S/C18H24Cl2O4/c1-2-3-4-5-12-23-16(21)10-7-11-17(22)24-13-14-8-6-9-15(19)18(14)20/h6,8-9H,2-5,7,10-13H2,1H3 |
| InChIKey | PJZIJCPBOQYPQS-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 | DaGaRrws4kf |
|---|---|
| Name | Glutaric acid, 2,3-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/c1-2-3-4-5-12-23-16(21)10-7-11-17(22)24-13-14-8-6-9-15(19)18(14)20/h6,8-9H,2-5,7,10-13H2,1H3 |
| InChIKey | PJZIJCPBOQYPQS-UHFFFAOYSA-N |
| Molecular Weight | 375.292 g/mol |
| SMILES | C(OCC=1C=CC=C(Cl)C1Cl)(=O)CCCC(OCCCCCC)=O |