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1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl propyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl propyl ester
SpectraBase Compound ID 3KieCHQRG4G
InChI InChI=1S/C18H23ClO4/c1-3-10-22-17(20)14-6-4-5-7-15(14)18(21)23-13-8-9-16(19)12(2)11-13/h8-9,11,14-15H,3-7,10H2,1-2H3
InChIKey OFUURNUSAFHHDB-UHFFFAOYSA-N
Mol Weight 338.83 g/mol
Molecular Formula C18H23ClO4
Exact Mass 338.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzFnBBdcA7L
Name 1,2-Cyclohexanedicarboxylic acid, 4-chloro-3-methylphenyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.128486917 u
Formula C18H23ClO4
InChI InChI=1S/C18H23ClO4/c1-3-10-22-17(20)14-6-4-5-7-15(14)18(21)23-13-8-9-16(19)12(2)11-13/h8-9,11,14-15H,3-7,10H2,1-2H3
InChIKey OFUURNUSAFHHDB-UHFFFAOYSA-N
Molecular Weight 338.831 g/mol
SMILES C1CCCC(C1C(OCCC)=O)C(=O)OC1=CC=C(C(C)=C1)Cl