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Triethyl 4-(2-bromophenyl)-5-methyl-pyridine-2,3,6-tricarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Triethyl 4-(2-bromophenyl)-5-methyl-pyridine-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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKP8QXQeKeb
Name Triethyl 4-(2-bromophenyl)-5-methylpyridine-2,3,6-tricarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.063050426 u
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 C=1(C(=NC(=C(C1C=1C(Br)=CC=CC1)C)C(=O)OCC)C(=O)OCC)C(=O)OCC