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7-[(1-pyrrolidinyl)methyl]theophylline

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

7-[(1-pyrrolidinyl)methyl]theophylline
SpectraBase Compound ID 3WhDvVIqKUu
InChI InChI=1S/C12H17N5O2/c1-14-10-9(11(18)15(2)12(14)19)13-7-17(10)8-16-5-3-4-6-16/h7H,3-6,8H2,1-2H3
InChIKey XMMGOULUOGREFF-UHFFFAOYSA-N
Mol Weight 263.3 g/mol
Molecular Formula C12H17N5O2
Exact Mass 263.138225 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GKPHBuoIoKY
Name 7-[(1-PYRROLIDINYL)METHYL]THEOPHYLLINE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S42638
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17N5O2
InChI InChI=1S/C12H17N5O2/c1-14-10-9(11(18)15(2)12(14)19)13-7-17(10)8-16-5-3-4-6-16/h7H,3-6,8H2,1-2H3
InChIKey XMMGOULUOGREFF-UHFFFAOYSA-N
Molecular Weight 263.300995
Synonyms THEOPHYLLINE, 7-//1-PYRROLIDINYL/- METHYL/-,
Technique KBr WAFER