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1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl heptyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl heptyl ester
SpectraBase Compound ID 5Fc95J9FDuZ
InChI InChI=1S/C21H28Cl2O4/c1-2-3-4-5-8-14-26-20(24)15-10-6-7-11-16(15)21(25)27-18-13-9-12-17(22)19(18)23/h9,12-13,15-16H,2-8,10-11,14H2,1H3
InChIKey SKLOCCULYRRWTP-UHFFFAOYSA-N
Mol Weight 415.36 g/mol
Molecular Formula C21H28Cl2O4
Exact Mass 414.136465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5X9gVC5V56Y
Name 1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.136464778 u
Formula C21H28Cl2O4
InChI InChI=1S/C21H28Cl2O4/c1-2-3-4-5-8-14-26-20(24)15-10-6-7-11-16(15)21(25)27-18-13-9-12-17(22)19(18)23/h9,12-13,15-16H,2-8,10-11,14H2,1H3
InChIKey SKLOCCULYRRWTP-UHFFFAOYSA-N
Molecular Weight 415.357 g/mol
SMILES C1(=C(C(=CC=C1)Cl)Cl)OC(C1CCCCC1C(OCCCCCCC)=O)=O