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1-Benzylsulfoxyl-6-(2-thiocyanato-ethyl)-cycloheptatriene

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1-Benzylsulfoxyl-6-(2-thiocyanato-ethyl)-cycloheptatriene
SpectraBase Compound ID 4qYXrXAJfPN
InChI InChI=1S/C17H17NOS2/c18-14-20-11-10-15-6-4-5-9-17(12-15)21(19)13-16-7-2-1-3-8-16/h1-9H,10-13H2
InChIKey DAABQPPAJXYVTD-UHFFFAOYSA-N
Mol Weight 315.45 g/mol
Molecular Formula C17H17NOS2
Exact Mass 315.075157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fx5JbD4QpGU
Name 1-Benzylsulfoxyl-6-(2-thiocyanato-ethyl)-cycloheptatriene
CAS Registry Number 90970-10-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17NOS2
InChI InChI=1S/C17H17NOS2/c18-14-20-11-10-15-6-4-5-9-17(12-15)21(19)13-16-7-2-1-3-8-16/h1-9H,10-13H2
InChIKey DAABQPPAJXYVTD-UHFFFAOYSA-N
Instrument Name Jeol GX-400
Literature Reference R. Okazaki, T. Hasegawa, Y. Shishido, J. Am. Chem. Soc. 106, 5271 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3