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Phthalic acid, 2-chlorophenyl 4-methoxyphenyl ester
SpectraBase Compound ID FFtaBoJfmE9
InChI InChI=1S/C21H15ClO5/c1-25-14-10-12-15(13-11-14)26-20(23)16-6-2-3-7-17(16)21(24)27-19-9-5-4-8-18(19)22/h2-13H,1H3
InChIKey GHLDVIKUYJOMOI-UHFFFAOYSA-N
Mol Weight 382.8 g/mol
Molecular Formula C21H15ClO5
Exact Mass 382.060801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BK7jJcnasD8
Name Phthalic acid, 2-chlorophenyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.060801278 u
Formula C21H15ClO5
InChI InChI=1S/C21H15ClO5/c1-25-14-10-12-15(13-11-14)26-20(23)16-6-2-3-7-17(16)21(24)27-19-9-5-4-8-18(19)22/h2-13H,1H3
InChIKey GHLDVIKUYJOMOI-UHFFFAOYSA-N
Molecular Weight 382.799 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC=C(OC)C=C1)=O)C(OC1=CC=CC=C1Cl)=O