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7-(2-hydroxyethyl)theophylline, mononicotinate

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

7-(2-hydroxyethyl)theophylline, mononicotinate
SpectraBase Compound ID LGvFmJfeEVp
InChI InChI=1S/C9H12N4O3.C6H5NO2/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7;8-6(9)5-2-1-3-7-4-5/h5,14H,3-4H2,1-2H3;1-4H,(H,8,9)
InChIKey VDEGCIURKGTHCO-UHFFFAOYSA-N
Mol Weight 347.33 g/mol
Molecular Formula C15H17N5O5
Exact Mass 347.122969 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7y7igAPc3hV
Name 7-(2-HYDROXYETHYL)THEOPHYLLINE, MONONICOTINATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S42404
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17N5O5
InChI InChI=1S/C9H12N4O3.C6H5NO2/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7;8-6(9)5-2-1-3-7-4-5/h5,14H,3-4H2,1-2H3;1-4H,(H,8,9)
InChIKey VDEGCIURKGTHCO-UHFFFAOYSA-N
Molecular Weight 347.330994
Synonyms THEOPHYLLINE, 7-/2-HYDROXYETHYL/-, MONONICOTINATE
Technique KBr WAFER