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1,2-Cyclohexanedicarboxylic acid, butyl 2-chlorophenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 2-chlorophenyl ester
SpectraBase Compound ID EFgMg3IkP5P
InChI InChI=1S/C18H23ClO4/c1-2-3-12-22-17(20)13-8-4-5-9-14(13)18(21)23-16-11-7-6-10-15(16)19/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3
InChIKey JDXKIHODWWBARN-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 fjkHLPfUQd
Name 1,2-Cyclohexanedicarboxylic acid, butyl 2-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.128486917 u
Formula C18H23ClO4
InChI InChI=1S/C18H23ClO4/c1-2-3-12-22-17(20)13-8-4-5-9-14(13)18(21)23-16-11-7-6-10-15(16)19/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3
InChIKey JDXKIHODWWBARN-UHFFFAOYSA-N
Molecular Weight 338.831 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)Cl)(OCCCC)=O