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(E)-3-Benzylthio-4-iodo-hex-3-ene
SpectraBase Compound ID FDmjBFrFFvJ
InChI InChI=1S/C13H17IS/c1-3-12(14)13(4-2)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/b13-12+
InChIKey XQTGOSWHYNGLJT-OUKQBFOZSA-N
Mol Weight 332.24 g/mol
Molecular Formula C13H17IS
Exact Mass 332.009567 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KY4Q38JvGn9
Name (E)-3-Benzylthio-4-iodo-hex-3-ene
CAS Registry Number 112701-55-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17IS
InChI InChI=1S/C13H17IS/c1-3-12(14)13(4-2)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3/b13-12+
InChIKey XQTGOSWHYNGLJT-OUKQBFOZSA-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