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7-(piperidinomethyl)theophylline

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

7-(piperidinomethyl)theophylline
SpectraBase Compound ID KKFlpdLlFYj
InChI InChI=1S/C13H19N5O2/c1-15-11-10(12(19)16(2)13(15)20)18(8-14-11)9-17-6-4-3-5-7-17/h8H,3-7,9H2,1-2H3
InChIKey PDJBQTXZAKKRHR-UHFFFAOYSA-N
Mol Weight 277.33 g/mol
Molecular Formula C13H19N5O2
Exact Mass 277.153875 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 71TNup32VS7
Name 7-(PIPERIDINOMETHYL)THEOPHYLLINE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S39251
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19N5O2
InChI InChI=1S/C13H19N5O2/c1-15-11-10(12(19)16(2)13(15)20)18(8-14-11)9-17-6-4-3-5-7-17/h8H,3-7,9H2,1-2H3
InChIKey PDJBQTXZAKKRHR-UHFFFAOYSA-N
Molecular Weight 277.328003
Synonyms THEOPHYLLINE, 7-/PIPERIDINO- METHYL/-,
Technique KBr WAFER