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2-(4-BUTOXYPHENYLMETHYLENE)-5-(2-CYANOETHYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
SpectraBase Compound ID HfbZIPYvsHo
InChI InChI=1S/C22H21NO2S/c1-2-3-13-25-18-9-6-17(7-10-18)15-21-22(24)19-14-16(5-4-12-23)8-11-20(19)26-21/h6-11,14-15H,2-5,13H2,1H3/b21-15-
InChIKey LGHCJLDXAMZWFQ-QNGOZBTKSA-N
Mol Weight 363.48 g/mol
Molecular Formula C22H21NO2S
Exact Mass 363.1293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K8w8iu6Zcqw
Name 2-(4-BUTOXYPHENYLMETHYLENE)-5-(2-CYANOETHYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
Compound Number 22A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21NO2S
InChI InChI=1S/C22H21NO2S/c1-2-3-13-25-18-9-6-17(7-10-18)15-21-22(24)19-14-16(5-4-12-23)8-11-20(19)26-21/h6-11,14-15H,2-5,13H2,1H3/b21-15-
InChIKey LGHCJLDXAMZWFQ-QNGOZBTKSA-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 363.474 g/mol
Solvent CDCl3
Source File Reference UWVN26267