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DIMETHYL_2-(PARA-BROMOBENZOYL)-1-[2-(2-ETHOXYCARBONYLVINYLSULFONYL)-1-METHYLVINYL]-PYRROLE-3,4-DICARBOXYLATE;E-ISOMER
SpectraBase Compound ID EsJNh3NLxSV
InChI InChI=1S/C23H22BrNO7S/c1-5-32-18(26)10-11-33-13-14(2)25-12-17(22(28)30-3)19(23(29)31-4)20(25)21(27)15-6-8-16(24)9-7-15/h6-13H,5H2,1-4H3/b11-10+,14-13-
InChIKey RATCDOKNGIPJFS-SVEAWWMOSA-N
Mol Weight 536.39 g/mol
Molecular Formula C23H22BrNO7S
Exact Mass 535.030036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bny3tTVlwiA
Name DIMETHYL_2-(PARA-BROMOBENZOYL)-1-[2-(2-ETHOXYCARBONYLVINYLSULFONYL)-1-METHYLVINYL]-PYRROLE-3,4-DICARBOXYLATE;E-ISOMER
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22BrNO7S
InChI InChI=1S/C23H22BrNO7S/c1-5-32-18(26)10-11-33-13-14(2)25-12-17(22(28)30-3)19(23(29)31-4)20(25)21(27)15-6-8-16(24)9-7-15/h6-13H,5H2,1-4H3/b11-10+,14-13-
InChIKey RATCDOKNGIPJFS-SVEAWWMOSA-N
Literature Reference Author T.IWAMURA,M.KOBAYASHI,T.ICHIKAWA,H.SHIMIZU,T.KATAOKA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,629(1996)
Literature Reference DOI 10.1039/p19960000629
Molecular Weight 536.394 g/mol
Solvent Unknown
Source File Reference UWMZ11541