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Phthalic acid, cyclohexylmethyl 3,4-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl 3,4-dichlorophenyl ester
SpectraBase Compound ID DsVrTi39AHp
InChI InChI=1S/C21H20Cl2O4/c22-18-11-10-15(12-19(18)23)27-21(25)17-9-5-4-8-16(17)20(24)26-13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2
InChIKey XTAOWBFKRCCEFR-UHFFFAOYSA-N
Mol Weight 407.29 g/mol
Molecular Formula C21H20Cl2O4
Exact Mass 406.073865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Up1ppPxDcY
Name Phthalic acid, cyclohexylmethyl 3,4-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.073864520 u
Formula C21H20Cl2O4
InChI InChI=1S/C21H20Cl2O4/c22-18-11-10-15(12-19(18)23)27-21(25)17-9-5-4-8-16(17)20(24)26-13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2
InChIKey XTAOWBFKRCCEFR-UHFFFAOYSA-N
Molecular Weight 407.293 g/mol
SMILES C1=CC=C(C(=C1)C(OC1=CC=C(C(=C1)Cl)Cl)=O)C(OCC1CCCCC1)=O