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7-N-BUTYL-6-THIOTHEOPHYLLINE

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7-N-BUTYL-6-THIOTHEOPHYLLINE
SpectraBase Compound ID FUvZ10hE10T
InChI InChI=1S/C11H16N4OS/c1-4-5-6-15-7-12-9-8(15)10(17)14(3)11(16)13(9)2/h7H,4-6H2,1-3H3
InChIKey JHQXGISMTXNCKZ-UHFFFAOYSA-N
Mol Weight 252.34 g/mol
Molecular Formula C11H16N4OS
Exact Mass 252.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qNMNLWmlxk
Name 7-N-BUTYL-6-THIOTHEOPHYLLINE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16N4OS
InChI InChI=1S/C11H16N4OS/c1-4-5-6-15-7-12-9-8(15)10(17)14(3)11(16)13(9)2/h7H,4-6H2,1-3H3
InChIKey JHQXGISMTXNCKZ-UHFFFAOYSA-N
Literature Reference Author H.HAYASHI,F.SUZUKI,T.YASUZAWA,H.UENO
Literature Reference Citation J.HETCYCL.CHEM.,30,247(1993)
Literature Reference DOI 10.1002/jhet.5570300142
Molecular Weight 252.334 g/mol
Solvent CDCl3
Source File Reference UWPB86