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7-[2-(3-BUTYNYL)]-THEOPHYLLINE

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7-[2-(3-BUTYNYL)]-THEOPHYLLINE
SpectraBase Compound ID 1DqcAZDCdNG
InChI InChI=1S/C11H12N4O2/c1-5-7(2)15-6-12-8-9(15)13(3)11(17)14(4)10(8)16/h1,6-7H,2-4H3
InChIKey GZWRXVOBXGUKTJ-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C11H12N4O2
Exact Mass 232.096026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AICBQXSrbHg
Name 7-[2-(3-BUTYNYL)]-THEOPHYLLINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N4O2
InChI InChI=1S/C11H12N4O2/c1-5-7(2)15-6-12-8-9(15)13(3)11(17)14(4)10(8)16/h1,6-7H,2-4H3
InChIKey GZWRXVOBXGUKTJ-UHFFFAOYSA-N
Literature Reference Author J.REISCH,A.R.R.RAO,C.O.USIFOH
Literature Reference Citation MH.CHEM.,125,79(1994)
Literature Reference DOI 10.1007/BF00811677
Molecular Weight 232.242 g/mol
Solvent CDCl3
Source File Reference UWPR1774