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2-CYANO-3-(2-ISOPROPYLPHENYL)-5,5-BIS-(METHYLTHIO)-PENTA-2,4-DIENENITRILE
SpectraBase Compound ID 4BE47GSLVOB
InChI InChI=1S/C17H18N2S2/c1-12(2)14-7-5-6-8-15(14)16(13(10-18)11-19)9-17(20-3)21-4/h5-9,12H,1-4H3
InChIKey IUTADGKYXNURKN-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C17H18N2S2
Exact Mass 314.091141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90WJGJ4j2dC
Name 2-CYANO-3-(2-ISOPROPYLPHENYL)-5,5-BIS-(METHYLTHIO)-PENTA-2,4-DIENENITRILE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18N2S2
InChI InChI=1S/C17H18N2S2/c1-12(2)14-7-5-6-8-15(14)16(13(10-18)11-19)9-17(20-3)21-4/h5-9,12H,1-4H3
InChIKey IUTADGKYXNURKN-UHFFFAOYSA-N
Literature Reference Author T.FREIER,M.MICHALIK,K.PESEKE,H.REINKE
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1265(1999)
Literature Reference DOI 10.1039/a805857a
Molecular Weight 314.463 g/mol
Solvent CDCl3
Source File Reference UWRU10407