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1,3-Dimethyl-3-(2,5-dimethylthien-3-yl)-2-thiabicyclo-[3.2.0]-hepta-6-ene-6,7-dicarbonitrile
SpectraBase Compound ID 2kZ0cH3aJJT
InChI InChI=1S/C16H16N2S2/c1-9-5-12(10(2)19-9)15(3)6-13-11(7-17)14(8-18)16(13,4)20-15/h5,13H,6H2,1-4H3
InChIKey HHDPIDCEEHAAEL-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C16H16N2S2
Exact Mass 300.075491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vAvU7uLeak
Name 1,3-DIMETHYL-3-(2,5-DIMETHYLTHIEN-3-YL)-2-THIABICYCLO-[3.2.0]-HEPTA-6-ENE-6,7-DICARBONITRILE
CAS Registry Number 80243-16-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N2S2
InChI InChI=1S/C16H16N2S2/c1-9-5-12(10(2)19-9)15(3)6-13-11(7-17)14(8-18)16(13,4)20-15/h5,13H,6H2,1-4H3
InChIKey HHDPIDCEEHAAEL-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 300.436 g/mol
Solvent CDCl3
Source File Reference UNIW20730