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3-METHYL-1-THIA-4,8-DIAZABICYCLO-[5.4.0]-UNDECA-6,9-DIEN-5-ONE
SpectraBase Compound ID ICWy0nuX9ya
InChI InChI=1S/C9H12N2OS/c1-11-4-2-8-7(6-11)9(12)10-3-5-13-8/h2,4,6,8H,3,5H2,1H3,(H,10,12)/t8-/m1/s1
InChIKey BDXFLFVFLJAUOM-MRVPVSSYSA-N
Mol Weight 196.27 g/mol
Molecular Formula C9H12N2OS
Exact Mass 196.067034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKPHMjapxk3
Name 3-METHYL-1-THIA-4,8-DIAZABICYCLO-[5.4.0]-UNDECA-6,9-DIEN-5-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N2OS
InChI InChI=1S/C9H12N2OS/c1-11-4-2-8-7(6-11)9(12)10-3-5-13-8/h2,4,6,8H,3,5H2,1H3,(H,10,12)/t8-/m1/s1
InChIKey BDXFLFVFLJAUOM-MRVPVSSYSA-N
Literature Reference Author J.KLEPP,M.OBERFRANK,J.RETEY,D.TRITSCH,J.F.BIELLMANN,W.E.HULL
Literature Reference Citation J.AM.CHEM.SOC.,111,4440(1989)
Literature Reference DOI 10.1021/ja00194a045
Molecular Weight 196.267 g/mol
Solvent CD3OD
Source File Reference UWCS12243