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1-Benzylthio-6-(2-hydroxy-ethyl)-cycloheptatriene

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1-Benzylthio-6-(2-hydroxy-ethyl)-cycloheptatriene
SpectraBase Compound ID LXCaPCcylbo
InChI InChI=1S/C16H18OS/c17-11-10-14-6-4-5-9-16(12-14)18-13-15-7-2-1-3-8-15/h1-9,17H,10-13H2
InChIKey GYTMRYWJFWPFJW-UHFFFAOYSA-N
Mol Weight 258.38 g/mol
Molecular Formula C16H18OS
Exact Mass 258.107836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fp0HVvrdz3o
Name 1-Benzylthio-6-(2-hydroxy-ethyl)-cycloheptatriene
CAS Registry Number 73172-96-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H18OS
InChI InChI=1S/C16H18OS/c17-11-10-14-6-4-5-9-16(12-14)18-13-15-7-2-1-3-8-15/h1-9,17H,10-13H2
InChIKey GYTMRYWJFWPFJW-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