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Triethyl 4-(2-bromophenyl)-5-methylpyridine-2,3,6-tricarboxylate
SpectraBase Compound ID H0uFfn7lDnJ
InChI InChI=1S/C21H22BrNO6/c1-5-27-19(24)16-15(13-10-8-9-11-14(13)22)12(4)17(20(25)28-6-2)23-18(16)21(26)29-7-3/h8-11H,5-7H2,1-4H3
InChIKey IGRUIOQMJNJYJE-UHFFFAOYSA-N
Mol Weight 464.31 g/mol
Molecular Formula C21H22BrNO6
Exact Mass 463.06305 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpK2C5gueiO
Name Triethyl 4-(2-bromophenyl)-5-methylpyridine-2,3,6-tricarboxylate
Alternate Name(s) 4-(2-bromophenyl)-5-methylpyridine-2,3,6-tricarboxylic acid triethyl ester Triethyl 4-(2-bromophenyl)-5-methyl-pyridine-2,3,6-tricarboxylate
CAS Registry Number 92628-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO6
InChI InChI=1S/C21H22BrNO6/c1-5-27-19(24)16-15(13-10-8-9-11-14(13)22)12(4)17(20(25)28-6-2)23-18(16)21(26)29-7-3/h8-11H,5-7H2,1-4H3
InChIKey IGRUIOQMJNJYJE-UHFFFAOYSA-N
Molecular Weight 464.312 g/mol
SMILES c1(c(nc(c(c1-c1c(Br)cccc1)C)C(=O)OCC)C(=O)OCC)C(=O)OCC
SPLASH splash10-03xr-0938000000-f0fcda47e980d4df8410
Source of Spectrum J-50-5787-7
Wiley ID 1391274