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S-(-)-8-{[1-(hydroxymethyl)propyl]amino}theophylline

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

S-(-)-8-{[1-(hydroxymethyl)propyl]amino}theophylline
SpectraBase Compound ID 7LKXTOxlTZh
InChI InChI=1S/C11H17N5O3/c1-4-6(5-17)12-10-13-7-8(14-10)15(2)11(19)16(3)9(7)18/h6,17H,4-5H2,1-3H3,(H2,12,13,14)/t6-/m0/s1
InChIKey ZHCKJNQISYBSNK-LURJTMIESA-N
Mol Weight 267.29 g/mol
Molecular Formula C11H17N5O3
Exact Mass 267.133139 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9B4SjfWO6St
Name S-(-)-8-{[1-(Hydroxymethyl)propyl]amino}theophylline
Source of Sample A. Drabczynska, N. Copernicus Academy of Medicine, Krakow, Poland
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N5O3
InChI InChI=1S/C11H17N5O3/c1-4-6(5-17)12-10-13-7-8(14-10)15(2)11(19)16(3)9(7)18/h6,17H,4-5H2,1-3H3,(H2,12,13,14)/t6-/m0/s1
InChIKey ZHCKJNQISYBSNK-LURJTMIESA-N
Literature Reference SYNTHESIS 1983, 577 Abstract-Chemical Abstracts= 100, 6177(1984)
Technique KBr WAFER