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5-tert-butylisophthalic acid, bis(5-chloro-3-pyridyl) ester

View entire compound with spectra: 3 NMR, and 1 FTIR

5-tert-butylisophthalic acid, bis(5-chloro-3-pyridyl) ester
SpectraBase Compound ID GvAWgut1uMd
InChI InChI=1S/C22H18Cl2N2O4/c1-22(2,3)15-5-13(20(27)29-18-7-16(23)9-25-11-18)4-14(6-15)21(28)30-19-8-17(24)10-26-12-19/h4-12H,1-3H3
InChIKey MCEDFJPPOVYSSA-UHFFFAOYSA-N
Mol Weight 445.3 g/mol
Molecular Formula C22H18Cl2N2O4
Exact Mass 444.064362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhmLciuGFxI
Name 5-tert-BUTYLISOPHTHALIC ACID, BIS(5-CHLORO-3-PYRIDYL) ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18Cl2N2O4
InChI InChI=1S/C22H18Cl2N2O4/c1-22(2,3)15-5-13(20(27)29-18-7-16(23)9-25-11-18)4-14(6-15)21(28)30-19-8-17(24)10-26-12-19/h4-12H,1-3H3
InChIKey MCEDFJPPOVYSSA-UHFFFAOYSA-N
Molecular Weight 445.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ISOPHTHALIC ACID, 5-tert-BUTYL-, BIS/5-CHLORO-3-PYRIDYL/ ESTER