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Phthalic acid, 4-chloro-3-methylphenyl cyclohexylmethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-3-methylphenyl cyclohexylmethyl ester
SpectraBase Compound ID EVFweVMWl2H
InChI InChI=1S/C22H23ClO4/c1-15-13-17(11-12-20(15)23)27-22(25)19-10-6-5-9-18(19)21(24)26-14-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3
InChIKey YYHABWQXTAEHMW-UHFFFAOYSA-N
Mol Weight 386.88 g/mol
Molecular Formula C22H23ClO4
Exact Mass 386.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOv8nMgjPjX
Name Phthalic acid, 4-chloro-3-methylphenyl cyclohexylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 386.128486917 u
Formula C22H23ClO4
InChI InChI=1S/C22H23ClO4/c1-15-13-17(11-12-20(15)23)27-22(25)19-10-6-5-9-18(19)21(24)26-14-16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14H2,1H3
InChIKey YYHABWQXTAEHMW-UHFFFAOYSA-N
Molecular Weight 386.875 g/mol
SMILES C1=C(C=C(C(=C1)Cl)C)OC(=O)C1=C(C=CC=C1)C(OCC1CCCCC1)=O