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Phthalic acid, 3-chlorophenyl 4-methoxyphenyl ester
SpectraBase Compound ID CZSZpScqUTz
InChI InChI=1S/C21H15ClO5/c1-25-15-9-11-16(12-10-15)26-20(23)18-7-2-3-8-19(18)21(24)27-17-6-4-5-14(22)13-17/h2-13H,1H3
InChIKey UVXIANKLZYJRBA-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 2h07ZCsiFou
Name Phthalic acid, 3-chlorophenyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.060801278 u
Formula C21H15ClO5
InChI InChI=1S/C21H15ClO5/c1-25-15-9-11-16(12-10-15)26-20(23)18-7-2-3-8-19(18)21(24)27-17-6-4-5-14(22)13-17/h2-13H,1H3
InChIKey UVXIANKLZYJRBA-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(=C1)Cl)=O