John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KHUxEzBsOxI SpectraBase Spectrum ID=3LUOwcHc9cT

(accessed ).
4-METHYL-8,9,10,11-TETRAHYDRO-3H,7H-CYCLOHEPTA-[4,5]-THIENO-[3,2-E]-[1,2,4]-TRIAZOLO-[2,3-C]-PYRIMIDINE-2-THIONE
SpectraBase Compound ID KHUxEzBsOxI
InChI InChI=1S/C13H14N4S2/c1-7-14-12-10(11-15-13(18)16-17(7)11)8-5-3-2-4-6-9(8)19-12/h2-6H2,1H3,(H,16,18)
InChIKey HKUMCSOXJYGBIQ-UHFFFAOYSA-N
Mol Weight 290.4 g/mol
Molecular Formula C13H14N4S2
Exact Mass 290.06599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LUOwcHc9cT
Name 4-METHYL-8,9,10,11-TETRAHYDRO-3H,7H-CYCLOHEPTA-[4,5]-THIENO-[3,2-E]-[1,2,4]-TRIAZOLO-[2,3-C]-PYRIMIDINE-2-THIONE
Compound Number 46
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N4S2
InChI InChI=1S/C13H14N4S2/c1-7-14-12-10(11-15-13(18)16-17(7)11)8-5-3-2-4-6-9(8)19-12/h2-6H2,1H3,(H,16,18)
InChIKey HKUMCSOXJYGBIQ-UHFFFAOYSA-N
Literature Reference Author K.M.AL-TAISAN,H.M.A.AL-HAZIMI,S.S.AL-SHIHRY
Literature Reference Citation MOLECULES,15,3932(2010)
Literature Reference DOI 10.3390/molecules15063932
Molecular Weight 290.401 g/mol
Sample ID 70983
Solvent CDCl3
SpectraBase Batch ID 31kC3HNpvTe