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1,3-dimethyl-7-propargyl-8-vinyl-xanthine

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1,3-dimethyl-7-propargyl-8-vinyl-xanthine
SpectraBase Compound ID GZtlsmqy2uc
InChI InChI=1S/C12H12N4O2/c1-5-7-16-8(6-2)13-10-9(16)11(17)15(4)12(18)14(10)3/h1,6H,2,7H2,3-4H3
InChIKey JTPDKYSOHGHVBK-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C12H12N4O2
Exact Mass 244.096026 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHaR5hmZ1l4
Name 1,3-dimethyl-7-propargyl-8-vinyl-xanthine
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N4O2
InChI InChI=1S/C12H12N4O2/c1-5-7-16-8(6-2)13-10-9(16)11(17)15(4)12(18)14(10)3/h1,6H,2,7H2,3-4H3
InChIKey JTPDKYSOHGHVBK-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 244.253 g/mol
Source File Reference MHKO25951