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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 IyOd2Xmg6yK
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 © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name SF = 080 MHz
Literature Reference J. Org. Chem. 47, 967 (1982).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3