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7-(2-hydroxyethyl)theophylline, bis(p-chlorophenoxy)acetate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

7-(2-hydroxyethyl)theophylline, bis(p-chlorophenoxy)acetate
SpectraBase Compound ID AFf7SCAVFkz
InChI InChI=1S/C23H20Cl2N4O6/c1-27-19-18(20(30)28(2)23(27)32)29(13-26-19)11-12-33-21(31)22(34-16-7-3-14(24)4-8-16)35-17-9-5-15(25)6-10-17/h3-10,13,22H,11-12H2,1-2H3
InChIKey YPCUCNGLKBAUBG-UHFFFAOYSA-N
Mol Weight 519.34 g/mol
Molecular Formula C23H20Cl2N4O6
Exact Mass 518.07599 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FOjMWlWXndG
Name 7-(2-HYDROXYETHYL)THEOPHYLLINE, BIS(p-CHLOROPHENOXY)ACETATE
Source of Sample G. Metz, L. Merckle Kg, Blaubeuren, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20Cl2N4O6
InChI InChI=1S/C23H20Cl2N4O6/c1-27-19-18(20(30)28(2)23(27)32)29(13-26-19)11-12-33-21(31)22(34-16-7-3-14(24)4-8-16)35-17-9-5-15(25)6-10-17/h3-10,13,22H,11-12H2,1-2H3
InChIKey YPCUCNGLKBAUBG-UHFFFAOYSA-N
Melting Point 135-136C
Molecular Weight 519.35
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms THEOPHYLLINE, 7-/2-HYDROXYETHYL/-, BIS/P-CHLOROPHENOXY/ACETATE