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Succinic acid, 2,3-dichlorobenzyl propyl ester
SpectraBase Compound ID 7qcTsvPnJzg
InChI InChI=1S/C14H16Cl2O4/c1-2-8-19-12(17)6-7-13(18)20-9-10-4-3-5-11(15)14(10)16/h3-5H,2,6-9H2,1H3
InChIKey BSFODSQJHBLKEO-UHFFFAOYSA-N
Mol Weight 319.18 g/mol
Molecular Formula C14H16Cl2O4
Exact Mass 318.042564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaWSSnlQtKl
Name Succinic acid, 2,3-dichlorobenzyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.042564391 u
Formula C14H16Cl2O4
InChI InChI=1S/C14H16Cl2O4/c1-2-8-19-12(17)6-7-13(18)20-9-10-4-3-5-11(15)14(10)16/h3-5H,2,6-9H2,1H3
InChIKey BSFODSQJHBLKEO-UHFFFAOYSA-N
Molecular Weight 319.184 g/mol
SMILES C1=CC=C(C(=C1Cl)Cl)COC(=O)CCC(OCCC)=O