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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 IcTz5MSkGQK
InChI InChI=1S/C12H12N4S2/c17-12-14-10-9-7-4-2-1-3-5-8(7)18-11(9)13-6-16(10)15-12/h6H,1-5H2,(H,15,17)
InChIKey QPXPEXAUKJYIFG-UHFFFAOYSA-N
Mol Weight 276.38 g/mol
Molecular Formula C12H12N4S2
Exact Mass 276.050339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaphLe3KSd9
Name 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 45
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N4S2
InChI InChI=1S/C12H12N4S2/c17-12-14-10-9-7-4-2-1-3-5-8(7)18-11(9)13-6-16(10)15-12/h6H,1-5H2,(H,15,17)
InChIKey QPXPEXAUKJYIFG-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 276.374 g/mol
Sample ID 70982
Solvent CDCl3