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(2S,4R)-2-(ACETYLSULFANYLMETHYL)-1-(4-METHYLPHENYLSULFONYL)-4-[2,2-BIS-(ETHOXYCARBONYL)-ETHENYL]-PYRROLIDINE;MAJOR-ISOMER

View entire compound with spectra: 2 NMR

(2S,4R)-2-(ACETYLSULFANYLMETHYL)-1-(4-METHYLPHENYLSULFONYL)-4-[2,2-BIS-(ETHOXYCARBONYL)-ETHENYL]-PYRROLIDINE;MAJOR-ISOMER
SpectraBase Compound ID 2EbHEz4fF0P
InChI InChI=1S/2C22H29NO7S2/c2*1-5-29-21(25)20(22(26)30-6-2)12-17-11-18(14-31-16(4)24)23(13-17)32(27,28)19-9-7-15(3)8-10-19/h2*7-10,12,17-18H,5-6,11,13-14H2,1-4H3/t2*17-,18+/m11/s1
InChIKey SHBGQMHQOMHTEX-NAFBYIBWSA-N
Mol Weight 967.19 g/mol
Molecular Formula C44H58N2O14S4
Exact Mass 966.277089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rJJ4JkqOU0
Name (2S,4R)-2-(ACETYLSULFANYLMETHYL)-1-(4-METHYLPHENYLSULFONYL)-4-[2,2-BIS-(ETHOXYCARBONYL)-ETHENYL]-PYRROLIDINE;MINOR-ISOMER
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H58N2O14S4
InChI InChI=1S/2C22H29NO7S2/c2*1-5-29-21(25)20(22(26)30-6-2)12-17-11-18(14-31-16(4)24)23(13-17)32(27,28)19-9-7-15(3)8-10-19/h2*7-10,12,17-18H,5-6,11,13-14H2,1-4H3/t2*17-,18+/m11/s1
InChIKey SHBGQMHQOMHTEX-NAFBYIBWSA-N
Literature Reference Author E.E.KORSHIN,Y.V.BILOKIN,H.ZHENG,M.D.BACHI
Literature Reference Citation J.AM.CHEM.SOC.,126,2708(2004)
Literature Reference DOI 10.1021/ja031766c
Molecular Weight 967.190 g/mol
Solvent CDCl3
Source File Reference UWVN32422