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(3-E,5-E)-7-(BUTYLSULFONYL)-3-METHYLHEPT-3,5-DIEN-2-ONE

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(3-E,5-E)-7-(BUTYLSULFONYL)-3-METHYLHEPT-3,5-DIEN-2-ONE
SpectraBase Compound ID Ai7XpfXysWO
InChI InChI=1S/C12H20O3S/c1-4-5-9-16(14,15)10-7-6-8-11(2)12(3)13/h6-8H,4-5,9-10H2,1-3H3/b7-6+,11-8+
InChIKey UXYUDKZOJIVOKJ-HRCSPUOPSA-N
Mol Weight 244.35 g/mol
Molecular Formula C12H20O3S
Exact Mass 244.113316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GkBCJKVmul
Name (3-E,5-E)-7-(BUTYLSULFONYL)-3-METHYLHEPT-3,5-DIEN-2-ONE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20O3S
InChI InChI=1S/C12H20O3S/c1-4-5-9-16(14,15)10-7-6-8-11(2)12(3)13/h6-8H,4-5,9-10H2,1-3H3/b7-6+,11-8+
InChIKey UXYUDKZOJIVOKJ-HRCSPUOPSA-N
Literature Reference Author L.C.BOUCHEZ,C.CRAITA,P.VOGEL
Literature Reference Citation ORG.LETTERS,7,897(2005)
Literature Reference DOI 10.1021/ol050006z
Molecular Weight 244.349 g/mol
Sample ID 42452
Solvent CDCl3