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

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Phthalic acid, 4-chloro-3-methylphenyl 4-chlorophenyl ester
SpectraBase Compound ID K4VRaH3F0dw
InChI InChI=1S/C21H14Cl2O4/c1-13-12-16(10-11-19(13)23)27-21(25)18-5-3-2-4-17(18)20(24)26-15-8-6-14(22)7-9-15/h2-12H,1H3
InChIKey SHDQGWOTICURNQ-UHFFFAOYSA-N
Mol Weight 401.25 g/mol
Molecular Formula C21H14Cl2O4
Exact Mass 400.026914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CItAsHIAq7n
Name Phthalic acid, 4-chloro-3-methylphenyl 4-chlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.026914327 u
Formula C21H14Cl2O4
InChI InChI=1S/C21H14Cl2O4/c1-13-12-16(10-11-19(13)23)27-21(25)18-5-3-2-4-17(18)20(24)26-15-8-6-14(22)7-9-15/h2-12H,1H3
InChIKey SHDQGWOTICURNQ-UHFFFAOYSA-N
Molecular Weight 401.245 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)C(OC1=CC=C(C(=C1)C)Cl)=O