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1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl ethyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl ethyl ester
SpectraBase Compound ID EjokqriIeOz
InChI InChI=1S/C16H18Cl2O4/c1-2-21-15(19)11-5-3-4-6-12(11)16(20)22-14-9-10(17)7-8-13(14)18/h7-9,11-12H,2-6H2,1H3
InChIKey RIAVCMRJFXTERK-UHFFFAOYSA-N
Mol Weight 345.22 g/mol
Molecular Formula C16H18Cl2O4
Exact Mass 344.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlG2v3vgTnS
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 344.058214456 u
Formula C16H18Cl2O4
InChI InChI=1S/C16H18Cl2O4/c1-2-21-15(19)11-5-3-4-6-12(11)16(20)22-14-9-10(17)7-8-13(14)18/h7-9,11-12H,2-6H2,1H3
InChIKey RIAVCMRJFXTERK-UHFFFAOYSA-N
Molecular Weight 345.222 g/mol
SMILES C1(=C(C=C(C=C1)Cl)OC(C1C(CCCC1)C(OCC)=O)=O)Cl