| SpectraBase Compound ID | Ejey89Ixoi8 |
|---|---|
| InChI | InChI=1S/C18H24Cl2O4/c1-3-5-8-13(7-4-2)23-16(21)11-12-17(22)24-15-10-6-9-14(19)18(15)20/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3 |
| InChIKey | MMSXFGMDBUOPIV-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 | 4KQ6s0tdchG |
|---|---|
| Name | Succinic acid, 2,3-dichlorophenyl 4-octyl 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/c1-3-5-8-13(7-4-2)23-16(21)11-12-17(22)24-15-10-6-9-14(19)18(15)20/h6,9-10,13H,3-5,7-8,11-12H2,1-2H3 |
| InChIKey | MMSXFGMDBUOPIV-UHFFFAOYSA-N |
| Molecular Weight | 375.292 g/mol |
| SMILES | C(CC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC(CCCC)CCC)=O |