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7-{2-[(1,1-dimethyl-2-hydroxyethyl)amino]ethyl}theophylline

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

7-{2-[(1,1-dimethyl-2-hydroxyethyl)amino]ethyl}theophylline
SpectraBase Compound ID 48RYZfMYkHi
InChI InChI=1S/C13H21N5O3/c1-13(2,7-19)15-5-6-18-8-14-10-9(18)11(20)17(4)12(21)16(10)3/h8,15,19H,5-7H2,1-4H3
InChIKey NUTPPCLCXFGERD-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C13H21N5O3
Exact Mass 295.16444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5LuhR1rtRpX
Name 7-{2-[(1,1-DIMETHYL-2-HYDROXYETHYL)AMINO]ETHYL}THEOPHYLLINE
Source of Sample J. Krupinska and J. Zajaczkowska, Nicolas Copernicus Academy of Medicine, Cracow, Poland
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21N5O3
InChI InChI=1S/C13H21N5O3/c1-13(2,7-19)15-5-6-18-8-14-10-9(18)11(20)17(4)12(21)16(10)3/h8,15,19H,5-7H2,1-4H3
InChIKey NUTPPCLCXFGERD-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 295.34
Solvent Polysol; Reference=TMS; Temperature 297K