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Succinic acid, 2,4-dichlorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,4-dichlorobenzyl undecyl ester
SpectraBase Compound ID 3NVBU208N1Z
InChI InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-15-27-21(25)13-14-22(26)28-17-18-11-12-19(23)16-20(18)24/h11-12,16H,2-10,13-15,17H2,1H3
InChIKey JMKUYGVPUYFZRB-UHFFFAOYSA-N
Mol Weight 431.4 g/mol
Molecular Formula C22H32Cl2O4
Exact Mass 430.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ELAG5EWkVOq
Name Succinic acid, 2,4-dichlorobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.167764906 u
Formula C22H32Cl2O4
InChI InChI=1S/C22H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-15-27-21(25)13-14-22(26)28-17-18-11-12-19(23)16-20(18)24/h11-12,16H,2-10,13-15,17H2,1H3
InChIKey JMKUYGVPUYFZRB-UHFFFAOYSA-N
Molecular Weight 431.400 g/mol
SMILES C(CCC(OCC1=CC=C(C=C1Cl)Cl)=O)(OCCCCCCCCCCC)=O