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4-Benzoyl-5-chloro-6-cyano-benzene-1,2,3-tricarboxylic acid triethyl ester
SpectraBase Compound ID CrDdxnX3Scn
InChI InChI=1S/C23H20ClNO7/c1-4-30-21(27)15-14(12-25)19(24)18(20(26)13-10-8-7-9-11-13)17(23(29)32-6-3)16(15)22(28)31-5-2/h7-11H,4-6H2,1-3H3
InChIKey HBLXUQRAWGECRI-UHFFFAOYSA-N
Mol Weight 457.87 g/mol
Molecular Formula C23H20ClNO7
Exact Mass 457.09283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C10SDVQ8GQX
Name 4-Benzoyl-5-chloro-6-cyano-benzene-1,2,3-tricarboxylic acid triethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClNO7
InChI InChI=1S/C23H20ClNO7/c1-4-30-21(27)15-14(12-25)19(24)18(20(26)13-10-8-7-9-11-13)17(23(29)32-6-3)16(15)22(28)31-5-2/h7-11H,4-6H2,1-3H3
InChIKey HBLXUQRAWGECRI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol0625536
Molecular Weight 457.866 g/mol
SMILES c1(c(C(OCC)=O)c(C#N)c(Cl)c(c1C(OCC)=O)C(c1ccccc1)=O)C(=O)OCC
SPLASH splash10-0a6r-1616900000-7c6abad4b980e93056cf
Source of Spectrum A1-8-5673/SM21-14b
Synonyms Triethyl 4-benzoyl-5-chloro-6-cyanobenzene-1,2,3-tricarboxylate
Wiley ID 1760964