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7-ETHOXYCARBONYL-METHYL-6-THIOTHEOPHYLLINE
SpectraBase Compound ID 5STPGCrdUks
InChI InChI=1S/C11H14N4O3S/c1-4-18-7(16)5-15-6-12-9-8(15)10(19)14(3)11(17)13(9)2/h6H,4-5H2,1-3H3
InChIKey HRYDQAJXTFCOTQ-UHFFFAOYSA-N
Mol Weight 282.32 g/mol
Molecular Formula C11H14N4O3S
Exact Mass 282.078661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6LezUPP7A4
Name 7-ETHOXYCARBONYL-METHYL-6-THIOTHEOPHYLLINE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14N4O3S
InChI InChI=1S/C11H14N4O3S/c1-4-18-7(16)5-15-6-12-9-8(15)10(19)14(3)11(17)13(9)2/h6H,4-5H2,1-3H3
InChIKey HRYDQAJXTFCOTQ-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 282.317 g/mol
Solvent CDCl3
Source File Reference UWPB93