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4'-chloro-biphenyl-2,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID IYowtnmU0y2
InChI InChI=1S/C16H13ClO4/c1-20-15(18)11-5-8-13(14(9-11)16(19)21-2)10-3-6-12(17)7-4-10/h3-9H,1-2H3
InChIKey ZSWMKSNDOHVVSS-UHFFFAOYSA-N
Mol Weight 304.73 g/mol
Molecular Formula C16H13ClO4
Exact Mass 304.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vyLil1CF75
Name 4'-chloro-biphenyl-2,4-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 4'-chloro-[1,1'-biphenyl]-2,4-dicarboxylate
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Formula C16H13ClO4
InChI InChI=1S/C16H13ClO4/c1-20-15(18)11-5-8-13(14(9-11)16(19)21-2)10-3-6-12(17)7-4-10/h3-9H,1-2H3
InChIKey ZSWMKSNDOHVVSS-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802118e
Molecular Weight 304.729 g/mol
SMILES C(OC)(c1cc(c(cc1)-c1ccc(cc1)Cl)C(=O)OC)=O
SPLASH splash10-0fk9-0095000000-1a5317a6ef350622f4fb
Source of Spectrum A1-10-4705/SM8-4i
Wiley ID 1760023