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7-(2,3-THIOEPOXYPROPYL)-THEOPHYLLINE

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7-(2,3-THIOEPOXYPROPYL)-THEOPHYLLINE
SpectraBase Compound ID ecJmOjWyT0
InChI InChI=1S/C10H12N4O2S/c1-12-8-7(9(15)13(2)10(12)16)14(5-11-8)3-6-4-17-6/h5-6H,3-4H2,1-2H3
InChIKey NSFASVBLNPALON-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C10H12N4O2S
Exact Mass 252.068097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47TW7IywdhB
Name 7-(2,3-THIOEPOXYPROPYL)-THEOPHYLLINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12N4O2S
InChI InChI=1S/C10H12N4O2S/c1-12-8-7(9(15)13(2)10(12)16)14(5-11-8)3-6-4-17-6/h5-6H,3-4H2,1-2H3
InChIKey NSFASVBLNPALON-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 252.291 g/mol
Solvent CDCl3
Source File Reference UWPB94