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7-(2-hydroxyethyl)theophylline, 2-(p-chlorophenoxy)-2-methylpropionate

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

7-(2-hydroxyethyl)theophylline, 2-(p-chlorophenoxy)-2-methylpropionate
SpectraBase Compound ID DkeAd51ZOaK
InChI InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3
InChIKey KYAKGJDISSNVPZ-UHFFFAOYSA-N
Mol Weight 420.85 g/mol
Molecular Formula C19H21ClN4O5
Exact Mass 420.120047 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 65TxfpJIsXb
Name 7-(2-HYDROXYETHYL)THEOPHYLLINE, 2-(p-CHLOROPHENOXY)-2-METHYLPROPIONATE
Source of Sample G. Metz, L. Merckle Kg, Blaubeuren, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21ClN4O5
InChI InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3
InChIKey KYAKGJDISSNVPZ-UHFFFAOYSA-N
Melting Point 133-135C
Molecular Weight 420.86
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms THEOPHYLLINE, 7-/2-HYDROXYETHYL/-, 2-/P-CHLOROPHENOXY/-2-METHYLPROPIONATE