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

View entire compound with spectra: 1 NMR

7-[2-(2-METHYL-3-BUTENYL)]-THEOPHYLLINE
SpectraBase Compound ID 3KmA7cjXqPD
InChI InChI=1S/C12H16N4O2/c1-6-12(2,3)16-7-13-8-9(16)14(4)11(18)15(5)10(8)17/h6-7H,1H2,2-5H3
InChIKey IPGKVENTWCTTRY-UHFFFAOYSA-N
Mol Weight 248.29 g/mol
Molecular Formula C12H16N4O2
Exact Mass 248.127326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7DkIIBmGL6M
Name 7-[2-(2-METHYL-3-BUTENYL)]-THEOPHYLLINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16N4O2
InChI InChI=1S/C12H16N4O2/c1-6-12(2,3)16-7-13-8-9(16)14(4)11(18)15(5)10(8)17/h6-7H,1H2,2-5H3
InChIKey IPGKVENTWCTTRY-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 248.285 g/mol
Solvent CDCl3
Source File Reference UWPR1775