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8-phenyl-1-propargyl-7H-xanthine

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8-phenyl-1-propargyl-7H-xanthine
SpectraBase Compound ID 7uLWc6vt0lB
InChI InChI=1S/C14H10N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,15,16)(H,17,20)
InChIKey NBMRBBJMCIDGIV-UHFFFAOYSA-N
Mol Weight 266.26 g/mol
Molecular Formula C14H10N4O2
Exact Mass 266.080376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClAKtSRkIuf
Name 8-phenyl-1-propargyl-7H-xanthine
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H10N4O2
InChI InChI=1S/C14H10N4O2/c1-2-8-18-13(19)10-12(17-14(18)20)16-11(15-10)9-6-4-3-5-7-9/h1,3-7H,8H2,(H,15,16)(H,17,20)
InChIKey NBMRBBJMCIDGIV-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 266.259 g/mol
Source File Reference MHKO1248