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5-Chloro-biphenyl-2,4'-dicarboxylic acid 4'-ethyl ester 2-methyl ester
SpectraBase Compound ID 6oBoVn5yTHM
InChI InChI=1S/C17H15ClO4/c1-3-22-16(19)12-6-4-11(5-7-12)15-10-13(18)8-9-14(15)17(20)21-2/h4-10H,3H2,1-2H3
InChIKey PPOPZOYDSJCRGY-UHFFFAOYSA-N
Mol Weight 318.76 g/mol
Molecular Formula C17H15ClO4
Exact Mass 318.065887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jkasvytTrP
Name 5-Chloro-biphenyl-2,4'-dicarboxylic acid 4'-ethyl ester 2-methyl ester
Alternate Name(s) 4'-ethyl 2-methyl 5-chloro-[1,1'-biphenyl]-2,4'-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClO4
InChI InChI=1S/C17H15ClO4/c1-3-22-16(19)12-6-4-11(5-7-12)15-10-13(18)8-9-14(15)17(20)21-2/h4-10H,3H2,1-2H3
InChIKey PPOPZOYDSJCRGY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol802118e
Molecular Weight 318.756 g/mol
SMILES c1(c(ccc(c1)Cl)C(=O)OC)-c1ccc(cc1)C(=O)OCC
SPLASH splash10-00xr-0192000000-45d605db72a244b319d3
Source of Spectrum A1-10-4705/SM9-4j
Wiley ID 1760024