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7-(2,3-dihydroxypropyl)theophylline, 3-(p-chlorophenoxy)acetate
SpectraBase Compound ID JBqyjt4TYtq
InChI InChI=1S/C18H19ClN4O6/c1-21-16-15(17(26)22(2)18(21)27)23(10-20-16)7-12(24)8-29-14(25)9-28-13-5-3-11(19)4-6-13/h3-6,10,12,24H,7-9H2,1-2H3
InChIKey YMCNTAHTWKEECY-UHFFFAOYSA-N
Mol Weight 422.83 g/mol
Molecular Formula C18H19ClN4O6
Exact Mass 422.099312 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BXtFAgbZggZ
Name 7-(2,3-DIHYDROXYPROPYL)THEOPHYLLINE, 3-(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 C18H19ClN4O6
InChI InChI=1S/C18H19ClN4O6/c1-21-16-15(17(26)22(2)18(21)27)23(10-20-16)7-12(24)8-29-14(25)9-28-13-5-3-11(19)4-6-13/h3-6,10,12,24H,7-9H2,1-2H3
InChIKey YMCNTAHTWKEECY-UHFFFAOYSA-N
Melting Point 80-83C
Molecular Weight 422.83
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms THEOPHYLLINE, 7-/2,3-DIHYDROXYPROPYL/-, 3-/P-CHLOROPHENOXY/ACETATE