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

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(E)-3-(4-Tolyl-sulfonyl)-pent-3-en-2-one
SpectraBase Compound ID BTV0oK5NWMd
InChI InChI=1S/C12H14O3S/c1-9-4-6-12(7-5-9)16(14,15)11(3)8-10(2)13/h4-8H,1-3H3/b11-8+
InChIKey QGUXENAQQRURBQ-DHZHZOJOSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICm0XvnjGFv
Name (E)-3-(4-Tolyl-sulfonyl)-pent-3-en-2-one
CAS Registry Number 115563-11-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-9-4-6-12(7-5-9)16(14,15)11(3)8-10(2)13/h4-8H,1-3H3/b11-8+
InChIKey QGUXENAQQRURBQ-DHZHZOJOSA-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