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2-(4-HEXYLOXYPHENYLMETHYLENE)-5-(METHOXYCARBONYLETHENYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
SpectraBase Compound ID 3GBxOcGGlmq
InChI InChI=1S/C25H26O4S/c1-3-4-5-6-15-29-20-11-7-19(8-12-20)17-23-25(27)21-16-18(9-13-22(21)30-23)10-14-24(26)28-2/h7-14,16-17H,3-6,15H2,1-2H3/b14-10+,23-17-
InChIKey JTEJVPFOSLBELN-SEUFPGFTSA-N
Mol Weight 422.54 g/mol
Molecular Formula C25H26O4S
Exact Mass 422.15518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8TASm0Xpjg
Name 2-(4-HEXYLOXYPHENYLMETHYLENE)-5-(METHOXYCARBONYLETHENYL)-BENZO-[B]-THIOPHEN-3-(2H)-ONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H26O4S
InChI InChI=1S/C25H26O4S/c1-3-4-5-6-15-29-20-11-7-19(8-12-20)17-23-25(27)21-16-18(9-13-22(21)30-23)10-14-24(26)28-2/h7-14,16-17H,3-6,15H2,1-2H3/b14-10+,23-17-
InChIKey JTEJVPFOSLBELN-SEUFPGFTSA-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 422.539 g/mol
Solvent CDCl3
Source File Reference UWVN26256