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(E)-3,4-Dithiocyanato-hex-3-ene
SpectraBase Compound ID 3gpv7z4K4ua
InChI InChI=1S/C8H10N2S2/c1-3-7(11-5-9)8(4-2)12-6-10/h3-4H2,1-2H3/b8-7+
InChIKey PJRRAGOZEXTGOH-BQYQJAHWSA-N
Mol Weight 198.3 g/mol
Molecular Formula C8H10N2S2
Exact Mass 198.028541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gy5xXUFJpCC
Name (E)-3,4-Dithiocyanato-hex-3-ene
CAS Registry Number 76014-48-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H10N2S2
InChI InChI=1S/C8H10N2S2/c1-3-7(11-5-9)8(4-2)12-6-10/h3-4H2,1-2H3/b8-7+
InChIKey PJRRAGOZEXTGOH-BQYQJAHWSA-N
Instrument Name Varian FT-80
Literature Reference J. Barluenga, J.M. Martinez-Gallo, J. Chem. Soc. Perkin I 1017 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4