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1,2-Cyclohexanedicarboxylic acid, butyl 4-chlorophenyl ester

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1,2-Cyclohexanedicarboxylic acid, butyl 4-chlorophenyl ester
SpectraBase Compound ID JNrZN0rpaXg
InChI InChI=1S/C18H23ClO4/c1-2-3-12-22-17(20)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h8-11,15-16H,2-7,12H2,1H3
InChIKey MUKOEXLXNYAQST-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 BOhBctYs0gu
Name 1,2-Cyclohexanedicarboxylic acid, butyl 4-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)15-6-4-5-7-16(15)18(21)23-14-10-8-13(19)9-11-14/h8-11,15-16H,2-7,12H2,1H3
InChIKey MUKOEXLXNYAQST-UHFFFAOYSA-N
Molecular Weight 338.831 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C=C1)Cl)C(OCCCC)=O