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(E)-S-2-ACETRAMIDOETHYL-3-[4-(3-METHYLBUT-2-ENYLOXY)-PHENYL]-PROP-2-ENETHIOATE
SpectraBase Compound ID IWXhf3yjxyG
InChI InChI=1S/C18H23NO3S/c1-14(2)10-12-22-17-7-4-16(5-8-17)6-9-18(21)23-13-11-19-15(3)20/h4-10H,11-13H2,1-3H3,(H,19,20)/b9-6+
InChIKey XTHZRUQOVQTXRK-RMKNXTFCSA-N
Mol Weight 333.45 g/mol
Molecular Formula C18H23NO3S
Exact Mass 333.139865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwJUZvg7MBq
Name (E)-S-2-ACETRAMIDOETHYL-3-[4-(3-METHYLBUT-2-ENYLOXY)-PHENYL]-PROP-2-ENETHIOATE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23NO3S
InChI InChI=1S/C18H23NO3S/c1-14(2)10-12-22-17-7-4-16(5-8-17)6-9-18(21)23-13-11-19-15(3)20/h4-10H,11-13H2,1-3H3,(H,19,20)/b9-6+
InChIKey XTHZRUQOVQTXRK-RMKNXTFCSA-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 333.446 g/mol
Solvent CDCl3
Source File Reference UWMZ48141