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3,5,6,7,8,9-HEXAHYDROCYCLOHEPTA-[4,5]-THIENO-[2,3-D]-PYRIMIDIN-4-ONE
SpectraBase Compound ID LBwd8XbXc5Q
InChI InChI=1S/C11H12N2OS/c14-10-9-7-4-2-1-3-5-8(7)15-11(9)13-6-12-10/h6H,1-5H2,(H,12,13,14)
InChIKey SMKVVKXYWCYSDN-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C11H12N2OS
Exact Mass 220.067034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dsiRKkcv7H
Name 3,5,6,7,8,9-HEXAHYDROCYCLOHEPTA-[4,5]-THIENO-[2,3-D]-PYRIMIDIN-4-ONE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2OS
InChI InChI=1S/C11H12N2OS/c14-10-9-7-4-2-1-3-5-8(7)15-11(9)13-6-12-10/h6H,1-5H2,(H,12,13,14)
InChIKey SMKVVKXYWCYSDN-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 220.289 g/mol
Sample ID 70950
Solvent DMSO-D6