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(E)-3-(4-Tolyl-sulfonyl)-but-3-en-2-one

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(E)-3-(4-Tolyl-sulfonyl)-but-3-en-2-one
SpectraBase Compound ID 29yIRNuBgvs
InChI InChI=1S/C11H12O3S/c1-9-3-5-11(6-4-9)15(13,14)8-7-10(2)12/h3-8H,1-2H3/b8-7+
InChIKey JVCBEBCSQANNSB-BQYQJAHWSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CM7QupCgtLQ
Name (E)-3-(4-Tolyl-sulfonyl)-but-3-en-2-one
CAS Registry Number 88726-07-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-9-3-5-11(6-4-9)15(13,14)8-7-10(2)12/h3-8H,1-2H3/b8-7+
InChIKey JVCBEBCSQANNSB-BQYQJAHWSA-N
Instrument Name Varian FT-80
Literature Reference C. Najera, B. Baldo, M.Yus, J. Chem. Soc. Perkin I 1029 (1988).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3