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7-(beta-CHLOROPHENETHYL)THEOPHYLLINE

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7-(beta-CHLOROPHENETHYL)THEOPHYLLINE
SpectraBase Compound ID 71uOIaNx7wZ
InChI InChI=1S/C15H15ClN4O2/c1-18-13-12(14(21)19(2)15(18)22)20(9-17-13)8-11(16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey SGMJZVXEKVEWRR-UHFFFAOYSA-N
Mol Weight 318.76 g/mol
Molecular Formula C15H15ClN4O2
Exact Mass 318.088353 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Gx9jczPC9If
Name 7-(beta-CHLOROPHENETHYL)THEOPHYLLINE
Source of Sample M. Eckstein, Medical Academy, Krakow, Poland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15ClN4O2
InChI InChI=1S/C15H15ClN4O2/c1-18-13-12(14(21)19(2)15(18)22)20(9-17-13)8-11(16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey SGMJZVXEKVEWRR-UHFFFAOYSA-N
Literature Reference JOCE 29, 3126(1964)
Melting Point 147-149C
Molecular Weight 318.762700
Synonyms THEOPHYLLINE, 7-/B-CHLORO- PHENETHYL/-,
Technique KBr WAFER