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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester
SpectraBase Compound ID 4PqRYx8Bv2E
InChI InChI=1S/C20H25ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)14(2)13-15/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3
InChIKey DLEFENZZYQFVGZ-UHFFFAOYSA-N
Mol Weight 364.87 g/mol
Molecular Formula C20H25ClO4
Exact Mass 364.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9hQ59oxmmh
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.144136981 u
Formula C20H25ClO4
InChI InChI=1S/C20H25ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)14(2)13-15/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3
InChIKey DLEFENZZYQFVGZ-UHFFFAOYSA-N
Molecular Weight 364.869 g/mol
SMILES C=1CC(C(CC1)C(OCCCCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl