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

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7-[2-(2-METHYL-3-BUTYNYL)]-THEOPHYLLINE
SpectraBase Compound ID B83e1UGkkyi
InChI InChI=1S/C12H14N4O2/c1-6-12(2,3)16-7-13-8-9(16)14(4)11(18)15(5)10(8)17/h1,7H,2-5H3
InChIKey QPWXBKDTLSIMRF-UHFFFAOYSA-N
Mol Weight 246.27 g/mol
Molecular Formula C12H14N4O2
Exact Mass 246.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yjjGBR3v5L
Name 7-[2-(2-METHYL-3-BUTYNYL)]-THEOPHYLLINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N4O2
InChI InChI=1S/C12H14N4O2/c1-6-12(2,3)16-7-13-8-9(16)14(4)11(18)15(5)10(8)17/h1,7H,2-5H3
InChIKey QPWXBKDTLSIMRF-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 246.269 g/mol
Solvent CDCl3
Source File Reference UWPR1773