John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FVfkdh6GphO SpectraBase Spectrum ID=29TXt8VKOMq

(accessed ).
(E)-3-Methyl-4-phenylsulfanylbut-3-en-2-one
SpectraBase Compound ID FVfkdh6GphO
InChI InChI=1S/C11H12OS/c1-9(10(2)12)8-13-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
InChIKey ILMCBNSIXQLWEC-CMDGGOBGSA-N
Mol Weight 192.28 g/mol
Molecular Formula C11H12OS
Exact Mass 192.060887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29TXt8VKOMq
Name (E)-3-METHYL-4-PHENYLSULFANYL-BUT-3-EN-2-ONE
Compound Number 6
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InChI InChI=1S/C11H12OS/c1-9(10(2)12)8-13-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
InChIKey ILMCBNSIXQLWEC-CMDGGOBGSA-N
Literature Reference S.KOUL,D.H.G.CROUT,W.ERRINGTON,J.TAX J.CHEM.SOC.PERKIN-1,2969(1995)
Solvent Chloroform-d
SpectraBase Batch ID 8v26jjK9d5W