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7-(2,3-dihydroxypropyl)theophylline, mononicotinate
SpectraBase Compound ID 2JVHPg3Ri7W
InChI InChI=1S/C10H14N4O4.C6H5NO2/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15;8-6(9)5-2-1-3-7-4-5/h5-6,15-16H,3-4H2,1-2H3;1-4H,(H,8,9)
InChIKey AFBHDSYEZLJHDA-UHFFFAOYSA-N
Mol Weight 377.36 g/mol
Molecular Formula C16H19N5O6
Exact Mass 377.133533 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IluKG9vznzi
Name 7-(2,3-DIHYDROXYPROPYL)THEOPHYLLINE, MONONICOTINATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S42180
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N5O6
InChI InChI=1S/C10H14N4O4.C6H5NO2/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15;8-6(9)5-2-1-3-7-4-5/h5-6,15-16H,3-4H2,1-2H3;1-4H,(H,8,9)
InChIKey AFBHDSYEZLJHDA-UHFFFAOYSA-N
Molecular Weight 377.356760
Synonyms THEOPHYLLINE, 7-/2,3-DIHYDROXY- PROPYL/-, MONONICOTINATE
Technique KBr WAFER