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5-tert-butylisophthalic acid, di-3-pyridyl ester

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

5-tert-butylisophthalic acid, di-3-pyridyl ester
SpectraBase Compound ID FhYn2288ivP
InChI InChI=1S/C22H20N2O4/c1-22(2,3)17-11-15(20(25)27-18-6-4-8-23-13-18)10-16(12-17)21(26)28-19-7-5-9-24-14-19/h4-14H,1-3H3
InChIKey YSWGAOFCBWKMTL-UHFFFAOYSA-N
Mol Weight 376.41 g/mol
Molecular Formula C22H20N2O4
Exact Mass 376.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 48LWLIaAYHY
Name 5-tert-BUTYLISOPHTHALIC ACID, DI-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 C22H20N2O4
InChI InChI=1S/C22H20N2O4/c1-22(2,3)17-11-15(20(25)27-18-6-4-8-23-13-18)10-16(12-17)21(26)28-19-7-5-9-24-14-19/h4-14H,1-3H3
InChIKey YSWGAOFCBWKMTL-UHFFFAOYSA-N
Molecular Weight 376.42
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ISOPHTHALIC ACID, 5-tert-BUTYL-, DI-3-PYRIDYL ESTER