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7-ALLYL-6-THIOTHEOPHYLLINE

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7-ALLYL-6-THIOTHEOPHYLLINE
SpectraBase Compound ID GvgNeXIxYYT
InChI InChI=1S/C10H12N4OS/c1-4-5-14-6-11-8-7(14)9(16)13(3)10(15)12(8)2/h4,6H,1,5H2,2-3H3
InChIKey LHQCTRPVUXQRFT-UHFFFAOYSA-N
Mol Weight 236.29 g/mol
Molecular Formula C10H12N4OS
Exact Mass 236.073182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Z5n7Au4uxe
Name 7-ALLYL-6-THIOTHEOPHYLLINE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12N4OS
InChI InChI=1S/C10H12N4OS/c1-4-5-14-6-11-8-7(14)9(16)13(3)10(15)12(8)2/h4,6H,1,5H2,2-3H3
InChIKey LHQCTRPVUXQRFT-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 236.291 g/mol
Solvent CDCl3
Source File Reference UWPB92