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4-Chloro-3-cyano-phthalic acid diethyl ester
SpectraBase Compound ID JBFBswXQ2Ul
InChI InChI=1S/C13H12ClNO4/c1-3-18-12(16)8-5-6-10(14)9(7-15)11(8)13(17)19-4-2/h5-6H,3-4H2,1-2H3
InChIKey XERKGGSNADQFSL-UHFFFAOYSA-N
Mol Weight 281.69 g/mol
Molecular Formula C13H12ClNO4
Exact Mass 281.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcESVMwMPWN
Name 4-Chloro-3-cyano-phthalic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClNO4
InChI InChI=1S/C13H12ClNO4/c1-3-18-12(16)8-5-6-10(14)9(7-15)11(8)13(17)19-4-2/h5-6H,3-4H2,1-2H3
InChIKey XERKGGSNADQFSL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol0625536
Molecular Weight 281.695 g/mol
SMILES c1(c(C(OCC)=O)c(c(cc1)Cl)C#N)C(=O)OCC
SPLASH splash10-0a4i-0190000000-99db8d576b319c73693b
Source of Spectrum A1-8-5673/SM19-12
Synonyms Diethyl 4-chloro-3-cyanophthalate 4-Chloro-3-cyanobenzene-1,2-dicarboxylic acid diethyl ester Diethyl 4-chloro-3-cyanobenzene-1,2-dicarboxylate Diethyl 4-chloro-3-cyano-benzene-1,2-dicarboxylate Diethyl 4-chloranyl-3-cyano-benzene-1,2-dicarboxylate
Wiley ID 1760963