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Phthalic acid, cyclohexyl 3,4-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexyl 3,4-dichlorophenyl ester
SpectraBase Compound ID 4dNRVZqQr2g
InChI InChI=1S/C20H18Cl2O4/c21-17-11-10-14(12-18(17)22)26-20(24)16-9-5-4-8-15(16)19(23)25-13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2
InChIKey NXZNEWAAEHTWRP-UHFFFAOYSA-N
Mol Weight 393.27 g/mol
Molecular Formula C20H18Cl2O4
Exact Mass 392.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8PItiuiUfs
Name Phthalic acid, cyclohexyl 3,4-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.058214456 u
Formula C20H18Cl2O4
InChI InChI=1S/C20H18Cl2O4/c21-17-11-10-14(12-18(17)22)26-20(24)16-9-5-4-8-15(16)19(23)25-13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2
InChIKey NXZNEWAAEHTWRP-UHFFFAOYSA-N
Molecular Weight 393.266 g/mol
SMILES C1=CC=C(C(=C1)C(OC1CCCCC1)=O)C(OC1=CC=C(C(=C1)Cl)Cl)=O