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7-METHYL-6-THIOTHEOPHYLLINE

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7-METHYL-6-THIOTHEOPHYLLINE
SpectraBase Compound ID DwpMwjpTBk1
InChI InChI=1S/C8H10N4OS/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3
InChIKey PYUDRFSIKNBDQS-UHFFFAOYSA-N
Mol Weight 210.25 g/mol
Molecular Formula C8H10N4OS
Exact Mass 210.057532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GFrjVzaLWtE
Name 7-METHYL-6-THIOTHEOPHYLLINE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10N4OS
InChI InChI=1S/C8H10N4OS/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3
InChIKey PYUDRFSIKNBDQS-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 210.254 g/mol
Solvent CDCl3
Source File Reference UWPB89