For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

Compound with spectra: 1 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
Enantiomer InChIKey ZHCKJNQISYBSNK-ZCFIWIBFSA-N
Racemate InChIKey ZHCKJNQISYBSNK-UHFFFAOYSA-N

View Spectrum of S-(-)-8-{[1-(Hydroxymethyl)propyl]amino}theophylline

1H NMR Spectrum
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Polysol-d

View Spectrum of S-(-)-8-{[1-(Hydroxymethyl)propyl]amino}theophylline

FTIR Spectrum
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample A. Drabczynska, N. Copernicus Academy of Medicine, Krakow, Poland
Technique KBr WAFER

View Spectrum of S-(-)-8-{[1-(Hydroxymethyl)propyl]amino}theophylline

UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol

View Spectrum of S-(-)-8-{[1-(Hydroxymethyl)propyl]amino}theophylline

UV-Vis Spectrum
Copyright Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved.
Solvent Methanol
R-(+)-8-{[1-(chloromethyl)propyl]amino}theophylline
8-(cyclopentylamino)-1,3-dimethyl-7H-purine-2,6-dione
8-(3-Ethoxypropylamino)-1,3-dimethyl-7H-purine-2,6-dione
1,3-dimethyl-8-{[2-(4-morpholinyl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Ethyl 2-[(1',3'-Dimethyl-2',4'-dioxopurin-8'-yl)hydrazono]acetate
2-[(1',3'-Dimethyl-2',4'-dioxopurin-8'-yl)hydrazono]-2-methylacetic acid
2-[(1',3'-Dimethyl-2',4'-dioxopurin-8'-yl)hydrazono]-2-ethylacetic acid
N-benzyl-2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazinecarbothioamide
1,3-Dimethyl-8-(1-methylhydrazino)-3,7-dihydro-1H-purine-2,6-dione
8-[(1E)-3-(3-chlorophenyl)-1-triazenyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.