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(Z)-1,4,5,6-Tetrahydro-1,3-dimethylbenzo-[C]-thiophene-1-(2-butenedinitrile)

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(Z)-1,4,5,6-Tetrahydro-1,3-dimethylbenzo-[C]-thiophene-1-(2-butenedinitrile)
SpectraBase Compound ID CIIz2jGgAbF
InChI InChI=1S/C14H14N2S/c1-10-12-5-3-4-6-13(12)14(2,17-10)11(9-16)7-8-15/h6-7H,3-5H2,1-2H3/b11-7+
InChIKey QWWJBYNWXJONBH-YRNVUSSQSA-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 JlV7x5Mi43j
Name (Z)-1,4,5,6-Tetrahydro-1,3-dimethylbenzo-[C]-thiophene-1-(2-butenedinitrile)
CAS Registry Number 80243-15-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H14N2S
InChI InChI=1S/C14H14N2S/c1-10-12-5-3-4-6-13(12)14(2,17-10)11(9-16)7-8-15/h6-7H,3-5H2,1-2H3/b11-7+
InChIKey QWWJBYNWXJONBH-YRNVUSSQSA-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