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METHYL-2-(4-HEXYLOXYPHENYLMETHYLENE)-BENZO-[B]-THIOPHEN-3-(2H)-ONE-5-(2-ETHYLCARBOXYLATE)
SpectraBase Compound ID WV4vE042Mj
InChI InChI=1S/2C25H28O4S/c2*1-3-4-5-6-15-29-20-11-7-19(8-12-20)17-23-25(27)21-16-18(9-13-22(21)30-23)10-14-24(26)28-2/h2*7-9,11-13,16-17H,3-6,10,14-15H2,1-2H3/b2*23-17-
InChIKey GHLATEFXKZEDPL-AESVMUEYSA-N
Mol Weight 849.11 g/mol
Molecular Formula C50H56O8S2
Exact Mass 848.341661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5s4FyupLOr
Name METHYL-2-(4-HEXYLOXYPHENYLMETHYLENE)-BENZO-[B]-THIOPHEN-3-(2H)-ONE-5-(2-ETHYLCARBOXYLATE)
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H56O8S2
InChI InChI=1S/2C25H28O4S/c2*1-3-4-5-6-15-29-20-11-7-19(8-12-20)17-23-25(27)21-16-18(9-13-22(21)30-23)10-14-24(26)28-2/h2*7-9,11-13,16-17H,3-6,10,14-15H2,1-2H3/b2*23-17-
InChIKey GHLATEFXKZEDPL-AESVMUEYSA-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 849.110 g/mol
Solvent CDCl3
Source File Reference UWVN26258