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3-BENZYL-6-BENZYLTHIOPURINE

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3-BENZYL-6-BENZYLTHIOPURINE
SpectraBase Compound ID 7gl5bUc9Ue3
InChI InChI=1S/C19H16N4S/c1-3-7-15(8-4-1)11-23-14-22-19(17-18(23)21-13-20-17)24-12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKey RQABGHBGPAWWNI-UHFFFAOYSA-N
Mol Weight 332.43 g/mol
Molecular Formula C19H16N4S
Exact Mass 332.109568 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID psKpYyVRIR
Name 3-BENZYL-6-BENZYLTHIOPURINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16N4S
InChI InChI=1S/C19H16N4S/c1-3-7-15(8-4-1)11-23-14-22-19(17-18(23)21-13-20-17)24-12-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKey RQABGHBGPAWWNI-UHFFFAOYSA-N
Literature Reference Author J.J.HUANG,A.RAGOUZEOS,J.L.RIDEOUT
Literature Reference Citation J.HETCYCL.CHEM.,31,1685(1994)
Literature Reference DOI 10.1002/jhet.5570310669
Molecular Weight 332.423 g/mol
Solvent DMSO-D6
Source File Reference UWCP6678