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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl propyl ester
SpectraBase Compound ID GvxqkdjWU2w
InChI InChI=1S/C17H20Cl2O4/c1-2-9-22-16(20)12-5-3-4-6-13(12)17(21)23-15-10-11(18)7-8-14(15)19/h7-8,10,12-13H,2-6,9H2,1H3
InChIKey JFGWRJVIDRNNTK-UHFFFAOYSA-N
Mol Weight 359.25 g/mol
Molecular Formula C17H20Cl2O4
Exact Mass 358.073865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FecqzGhmxtE
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.073864520 u
Formula C17H20Cl2O4
InChI InChI=1S/C17H20Cl2O4/c1-2-9-22-16(20)12-5-3-4-6-13(12)17(21)23-15-10-11(18)7-8-14(15)19/h7-8,10,12-13H,2-6,9H2,1H3
InChIKey JFGWRJVIDRNNTK-UHFFFAOYSA-N
Molecular Weight 359.249 g/mol
SMILES C(C1CCCCC1C(=O)OCCC)(=O)OC1=CC(=CC=C1Cl)Cl