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(2E)-4-(cyanosulfanyl)-2-butenyl thiocyanate

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(2E)-4-(cyanosulfanyl)-2-butenyl thiocyanate
SpectraBase Compound ID 3w7VkYIBCGY
InChI InChI=1S/C6H6N2S2/c7-5-9-3-1-2-4-10-6-8/h1-2H,3-4H2/b2-1+
InChIKey SNXCTEZCRLCWSX-OWOJBTEDSA-N
Mol Weight 170.25 g/mol
Molecular Formula C6H6N2S2
Exact Mass 169.997241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bn7DmyjBteK
Name 1,4-Dithiocyanato-but-2-ene
CAS Registry Number 5263-52-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H6N2S2
InChI InChI=1S/C6H6N2S2/c7-5-9-3-1-2-4-10-6-8/h1-2H,3-4H2/b2-1+
InChIKey SNXCTEZCRLCWSX-OWOJBTEDSA-N
Instrument Name Bruker AM-360
Literature Reference E.H. Abd Elall, J.M. Mellor, J. Chem. Soc. Perkin I 2729 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3