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2-(4-HEXYLOXYPHENYLMETHYLENE)-4-(2-CYANOETHYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
SpectraBase Compound ID 2z0yOj6KfCa
InChI InChI=1S/C24H25NO2S/c1-2-3-4-5-16-27-20-13-11-18(12-14-20)17-22-24(26)23-19(9-7-15-25)8-6-10-21(23)28-22/h6,8,10-14,17H,2-5,7,9,16H2,1H3/b22-17-
InChIKey HBWHDJHWNCIDEZ-XLNRJJMWSA-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 CxatFXas900
Name 2-(4-HEXYLOXYPHENYLMETHYLENE)-4-(2-CYANOETHYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
Compound Number 22F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25NO2S
InChI InChI=1S/C24H25NO2S/c1-2-3-4-5-16-27-20-13-11-18(12-14-20)17-22-24(26)23-19(9-7-15-25)8-6-10-21(23)28-22/h6,8,10-14,17H,2-5,7,9,16H2,1H3/b22-17-
InChIKey HBWHDJHWNCIDEZ-XLNRJJMWSA-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 UWVN26273