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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl propyl ester
SpectraBase Compound ID 95fEO1g2Ek8
InChI InChI=1S/C18H21ClO4/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/h4-5,8-9,11,14-15H,3,6-7,10H2,1-2H3
InChIKey WPIMLPDLSPPTCT-UHFFFAOYSA-N
Mol Weight 336.82 g/mol
Molecular Formula C18H21ClO4
Exact Mass 336.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gi0O9ADYfTP
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 336.112836852 u
Formula C18H21ClO4
InChI InChI=1S/C18H21ClO4/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/h4-5,8-9,11,14-15H,3,6-7,10H2,1-2H3
InChIKey WPIMLPDLSPPTCT-UHFFFAOYSA-N
Molecular Weight 336.815 g/mol
SMILES C=1CC(C(CC1)C(OCCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl