John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1DANdXQkPIQ SpectraBase Spectrum ID=1Ik5G9pc9ga

(accessed ).
(E/Z)-2-(2,5-DIMETHYLTHIEN-3-YL)-3-OXOPROPAN-1-NITRILE;ENOL-FORM
SpectraBase Compound ID 1DANdXQkPIQ
InChI InChI=1S/2C9H9NOS/c2*1-6-3-9(7(2)12-6)8(4-10)5-11/h2*3,5,11H,1-2H3/b8-5+;8-5-
InChIKey GBMKCMMATJBPOS-OJEMXQENSA-N
Mol Weight 358.47 g/mol
Molecular Formula C18H18N2O2S2
Exact Mass 358.080972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ik5G9pc9ga
Name (E/Z)-2-(2,5-DIMETHYLTHIEN-3-YL)-3-OXOPROPAN-1-NITRILE;ENOL-FORM
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O2S2
InChI InChI=1S/2C9H9NOS/c2*1-6-3-9(7(2)12-6)8(4-10)5-11/h2*3,5,11H,1-2H3/b8-5+;8-5-
InChIKey GBMKCMMATJBPOS-OJEMXQENSA-N
Literature Reference Author G.KIRSCH,J.L.MIELOSZYNSKI,D.PAQUER,C.G.ANDRIEU
Literature Reference Citation REC.TR.CH.P.-B.,102,489(1983)
Literature Reference DOI 10.1002/recl.19831021106
Molecular Weight 358.473 g/mol
Solvent DMSO-D6
Source File Reference UWCS5198
SpectraBase Batch ID Kw3wREdwbDm