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2-(4-HEXYLOXYPHENYLMETHYLENE)-6-(2-CYANOETHYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
SpectraBase Compound ID 3EVaHJtmNFU
InChI InChI=1S/C24H25NO2S/c1-2-3-4-5-15-27-20-11-8-19(9-12-20)17-23-24(26)21-13-10-18(7-6-14-25)16-22(21)28-23/h8-13,16-17H,2-7,15H2,1H3/b23-17-
InChIKey LFJHKYIQKYNZGM-QJOMJCCJSA-N
Mol Weight 391.53 g/mol
Molecular Formula C24H25NO2S
Exact Mass 391.1606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWylKQSTiKq
Name 2-(4-HEXYLOXYPHENYLMETHYLENE)-6-(2-CYANOETHYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
Compound Number 22E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25NO2S
InChI InChI=1S/C24H25NO2S/c1-2-3-4-5-15-27-20-11-8-19(9-12-20)17-23-24(26)21-13-10-18(7-6-14-25)16-22(21)28-23/h8-13,16-17H,2-7,15H2,1H3/b23-17-
InChIKey LFJHKYIQKYNZGM-QJOMJCCJSA-N
Literature Reference Author K.EGGERS,T.M.FYLES,P.J.MONTOYA-PELAEZ
Literature Reference Citation J.ORG.CHEM.,66,2966(2001)
Literature Reference DOI 10.1021/jo0056848
Molecular Weight 391.528 g/mol
Solvent CDCl3
Source File Reference UWVN26272