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6-keto-1,2,5-triphenyl-pyridine-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID IEBdurcsSnn
InChI InChI=1S/C27H21NO5/c1-32-26(30)22-21(18-12-6-3-7-13-18)25(29)28(20-16-10-5-11-17-20)24(23(22)27(31)33-2)19-14-8-4-9-15-19/h3-17H,1-2H3
InChIKey ZGAUAHFFLCGERF-UHFFFAOYSA-N
Mol Weight 439.47 g/mol
Molecular Formula C27H21NO5
Exact Mass 439.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K4pvQnfWUG
Name 6-keto-1,2,5-triphenyl-pyridine-3,4-dicarboxylic acid dimethyl ester
Alternate Name(s) 6-Oxo-1,2,5-triphenylpyridine-3,4-dicarboxylic acid dimethyl ester Dimethyl 6-oxidanylidene-1,2,5-triphenyl-pyridine-3,4-dicarboxylate Dimethyl 6-oxo-1,2,5-triphenyl-1,6-dihydro-3,4-pyridinedicarboxylate Dimethyl 6-oxo-1,2,5-triphenyl-pyridine-3,4-dicarboxylate
CAS Registry Number 52731-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21NO5
InChI InChI=1S/C27H21NO5/c1-32-26(30)22-21(18-12-6-3-7-13-18)25(29)28(20-16-10-5-11-17-20)24(23(22)27(31)33-2)19-14-8-4-9-15-19/h3-17H,1-2H3
InChIKey ZGAUAHFFLCGERF-UHFFFAOYSA-N
Molecular Weight 439.467 g/mol
SMILES C=1(C(=C(c2ccccc2)C(N(C1c1ccccc1)c1ccccc1)=O)C(=O)OC)C(=O)OC
SPLASH splash10-0040-4303900000-3e8e2d96660487589b92
Source of Spectrum KC-1976-2569-0
Wiley ID 1384461