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1,2-Cyclohexanedicarboxylic acid, di(2-chlorophenyl) ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, di(2-chlorophenyl) ester
SpectraBase Compound ID 1bMEwzwNyky
InChI InChI=1S/C20H18Cl2O4/c21-15-9-3-5-11-17(15)25-19(23)13-7-1-2-8-14(13)20(24)26-18-12-6-4-10-16(18)22/h3-6,9-14H,1-2,7-8H2
InChIKey SVGFMEZTSLHGEE-UHFFFAOYSA-N
Mol Weight 393.27 g/mol
Molecular Formula C20H18Cl2O4
Exact Mass 392.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlPpzCHOcTn
Name 1,2-Cyclohexanedicarboxylic acid, di(2-chlorophenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 392.058214456 u
Formula C20H18Cl2O4
InChI InChI=1S/C20H18Cl2O4/c21-15-9-3-5-11-17(15)25-19(23)13-7-1-2-8-14(13)20(24)26-18-12-6-4-10-16(18)22/h3-6,9-14H,1-2,7-8H2
InChIKey SVGFMEZTSLHGEE-UHFFFAOYSA-N
Molecular Weight 393.266 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)Cl)(OC1=CC=CC=C1Cl)=O