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2-(3-HEXYLOXYPHENYLMETHYLENE)-5-(2-CARBOXYETHYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
SpectraBase Compound ID FsQUrHJcpcM
InChI InChI=1S/C24H26O4S/c1-2-3-4-5-13-28-19-8-6-7-18(14-19)16-22-24(27)20-15-17(10-12-23(25)26)9-11-21(20)29-22/h6-9,11,14-16H,2-5,10,12-13H2,1H3,(H,25,26)/b22-16-
InChIKey XVGSBWOARHVHPH-JWGURIENSA-N
Mol Weight 410.53 g/mol
Molecular Formula C24H26O4S
Exact Mass 410.15518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuVX2GsYLbO
Name 2-(3-HEXYLOXYPHENYLMETHYLENE)-5-(2-CARBOXYETHYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26O4S
InChI InChI=1S/C24H26O4S/c1-2-3-4-5-13-28-19-8-6-7-18(14-19)16-22-24(27)20-15-17(10-12-23(25)26)9-11-21(20)29-22/h6-9,11,14-16H,2-5,10,12-13H2,1H3,(H,25,26)/b22-16-
InChIKey XVGSBWOARHVHPH-JWGURIENSA-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 410.528 g/mol
Solvent CDCl3
Source File Reference UWVN26276