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2-(4-HEXYLOXYPHENYLMETHYLENE)-5-BROMOBENZO-[B]-THIOPHEN-3-(2H)-ONE
SpectraBase Compound ID 6I6jumH8eji
InChI InChI=1S/C21H21BrO2S/c1-2-3-4-5-12-24-17-9-6-15(7-10-17)13-20-21(23)18-14-16(22)8-11-19(18)25-20/h6-11,13-14H,2-5,12H2,1H3/b20-13-
InChIKey XWDLVOYSJQGVRJ-MOSHPQCFSA-N
Mol Weight 417.36 g/mol
Molecular Formula C21H21BrO2S
Exact Mass 416.044564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mb6vFXlUAB
Name 2-(4-HEXYLOXYPHENYLMETHYLENE)-5-BROMOBENZO-[B]-THIOPHEN-3-(2H)-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21BrO2S
InChI InChI=1S/C21H21BrO2S/c1-2-3-4-5-12-24-17-9-6-15(7-10-17)13-20-21(23)18-14-16(22)8-11-19(18)25-20/h6-11,13-14H,2-5,12H2,1H3/b20-13-
InChIKey XWDLVOYSJQGVRJ-MOSHPQCFSA-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 417.361 g/mol
Solvent CDCl3
Source File Reference UWVN26251