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(E)-S-2-ACETRAMIDOETHYL-3-{4-[(E)-3,7-DIMETHYLOCTA-2,6-DIENYLOXY]-PHENYL}-PROP-2-ENETHIOATE
SpectraBase Compound ID KwFValKtxPa
InChI InChI=1S/C23H31NO3S/c1-18(2)6-5-7-19(3)14-16-27-22-11-8-21(9-12-22)10-13-23(26)28-17-15-24-20(4)25/h6,8-14H,5,7,15-17H2,1-4H3,(H,24,25)/b13-10+,19-14+
InChIKey BEGXPENACHCNCQ-NIEGGPFSSA-N
Mol Weight 401.57 g/mol
Molecular Formula C23H31NO3S
Exact Mass 401.202465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8TnKridXCuz
Name (E)-S-2-ACETRAMIDOETHYL-3-{4-[(E)-3,7-DIMETHYLOCTA-2,6-DIENYLOXY]-PHENYL}-PROP-2-ENETHIOATE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31NO3S
InChI InChI=1S/C23H31NO3S/c1-18(2)6-5-7-19(3)14-16-27-22-11-8-21(9-12-22)10-13-23(26)28-17-15-24-20(4)25/h6,8-14H,5,7,15-17H2,1-4H3,(H,24,25)/b13-10+,19-14+
InChIKey BEGXPENACHCNCQ-NIEGGPFSSA-N
Literature Reference Author P.DE,G.K.YOYA,P.CONSTANT,F.BEDOS-BELVAL,H.DURAN,N.SAFFON,M.D AFFE,M.BALTAS
Literature Reference Citation J.MED.CHEM.,54,1449(2011)
Literature Reference DOI 10.1021/jm101510d
Molecular Weight 401.564 g/mol
Solvent CDCl3
Source File Reference UWMZ48142