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5-(1,1-Dimethylethyl)-1,3-dimethyl-2-thiabicyclo-[3.2.0]-hepta-3,6-diene-6,7-dicarbonitrile
SpectraBase Compound ID IcSNDxfUuSi
InChI InChI=1S/C14H16N2S/c1-9-6-14(12(2,3)4)11(8-16)10(7-15)13(14,5)17-9/h6H,1-5H3
InChIKey GCKZZOAFYCATJT-UHFFFAOYSA-N
Mol Weight 244.36 g/mol
Molecular Formula C14H16N2S
Exact Mass 244.10342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1rQssx1DaeZ
Name 5-(1,1-DIMETHYLETHYL)-1,3-DIMETHYL-2-THIABICYCLO-[3.2.0]-HEPTA-3,6-DIENE-6,7-DICARBONITRILE
CAS Registry Number 80242-88-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N2S
InChI InChI=1S/C14H16N2S/c1-9-6-14(12(2,3)4)11(8-16)10(7-15)13(14,5)17-9/h6H,1-5H3
InChIKey GCKZZOAFYCATJT-UHFFFAOYSA-N
Literature Reference Author R.H.HALL,H.J.DENHERTOG,D.N.REINHOUDT
Literature Reference Citation J.ORG.CHEM.,47,967(1982)
Literature Reference DOI 10.1021/jo00345a014
Molecular Weight 244.354 g/mol
Solvent CDCl3
Source File Reference UNIW20726