For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5-tert-butylisophthalic acid, bis(2-chloro-3-pyridyl) ester

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

5-tert-butylisophthalic acid, bis(2-chloro-3-pyridyl) ester
SpectraBase Compound ID ICT0M0IikRN
InChI InChI=1S/C22H18Cl2N2O4/c1-22(2,3)15-11-13(20(27)29-16-6-4-8-25-18(16)23)10-14(12-15)21(28)30-17-7-5-9-26-19(17)24/h4-12H,1-3H3
InChIKey QJXIPJNUEQEJTN-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CN7hEHZcWvA
Name 5-tert-BUTYLISOPHTHALIC ACID, BIS(2-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)15-11-13(20(27)29-16-6-4-8-25-18(16)23)10-14(12-15)21(28)30-17-7-5-9-26-19(17)24/h4-12H,1-3H3
InChIKey QJXIPJNUEQEJTN-UHFFFAOYSA-N
Molecular Weight 445.31
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ISOPHTHALIC ACID, 5-tert-BUTYL-, BIS/2-CHLORO-3-PYRIDYL/ ESTER