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8-chloro-7-(2-cyanoethyl)theophylline

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8-chloro-7-(2-cyanoethyl)theophylline
SpectraBase Compound ID 8rXkcWwAK7b
InChI InChI=1S/C10H10ClN5O2/c1-14-7-6(8(17)15(2)10(14)18)16(5-3-4-12)9(11)13-7/h3,5H2,1-2H3
InChIKey KNHSWVJQYQJKBG-UHFFFAOYSA-N
Mol Weight 267.68 g/mol
Molecular Formula C10H10ClN5O2
Exact Mass 267.052302 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IDprK8ztiwy
Name 8-CHLORO-7-(2-CYANOETHYL)THEOPHYLLINE
Source of Sample M. Eckstein, Medical Academy, Krakow, Poland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10ClN5O2
InChI InChI=1S/C10H10ClN5O2/c1-14-7-6(8(17)15(2)10(14)18)16(5-3-4-12)9(11)13-7/h3,5H2,1-2H3
InChIKey KNHSWVJQYQJKBG-UHFFFAOYSA-N
Literature Reference JOCE 29, 3126(1964)
Melting Point 175-177C
Molecular Weight 267.673004
Synonyms 7-PURINEPROPIONITRILE, 8-CHLORO-1,3- DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-, THEOPHYLLINE, 8-CHLORO-7-/2-CYANO- ETHYL/-,
Technique KBr WAFER