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2a,5,6,7,8,8a-Hexahydro-2a,4-dimethylbenzo-[C]-cyclobuta-[B]-thiophene-1,2-dicarbonitrile
SpectraBase Compound ID FkdFKMcJ6eA
InChI InChI=1S/C14H14N2S/c1-9-10-5-3-4-6-14(10)12(8-16)11(7-15)13(14,2)17-9/h3-6H2,1-2H3
InChIKey LDQCSFSEWUGRFZ-UHFFFAOYSA-N
Mol Weight 242.34 g/mol
Molecular Formula C14H14N2S
Exact Mass 242.08777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9khDdpf8f1x
Name 2A,5,6,7,8,8A-HEXAHYDRO-2A,4-DIMETHYLBENZO-[C]-CYCLOBUTA-[B]-THIOPHENE-1,2-DICARBONITRILE
CAS Registry Number 80243-00-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14N2S
InChI InChI=1S/C14H14N2S/c1-9-10-5-3-4-6-14(10)12(8-16)11(7-15)13(14,2)17-9/h3-6H2,1-2H3
InChIKey LDQCSFSEWUGRFZ-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 242.339 g/mol
Solvent CDCl3
Source File Reference UNIW20728