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#15A;(+)-(E,S(S),4S,1'R)-4-[3'-(N-METHYL-S-PHENYLSULFONIMIDOYL)-1'-CYCLOHEXYL-ALLYL]-5-OXO-1,3-BIS-(TOLUENE-4-SULFONYL)-IMIDAZOLIDINE-2-CARBOXYLIC-ACETIC-ACID-

View entire compound with spectra: 1 NMR

#15A;(+)-(E,S(S),4S,1'R)-4-[3'-(N-METHYL-S-PHENYLSULFONIMIDOYL)-1'-CYCLOHEXYL-ALLYL]-5-OXO-1,3-BIS-(TOLUENE-4-SULFONYL)-IMIDAZOLIDINE-2-CARBOXYLIC-ACETIC-ACID-
SpectraBase Compound ID HoFzSrzFxPK
InChI InChI=1S/C36H43N3O8S3/c1-5-47-36(41)34-38(49(43,44)30-20-16-26(2)17-21-30)33(35(40)39(34)50(45,46)31-22-18-27(3)19-23-31)32(28-12-8-6-9-13-28)24-25-48(42,37-4)29-14-10-7-11-15-29/h7,10-11,14-25,28,32-34H,5-6,8-9,12-13H2,1-4H3/b25-24+/t32-,33-,34+,48?/m0/s1
InChIKey MULHZVIZYMQGTO-ICMRKMQVSA-N
Mol Weight 741.9 g/mol
Molecular Formula C36H43N3O8S3
Exact Mass 741.221229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GfeZo9xG6FT
Name #15A;(+)-(E,S(S),4S,1'R)-4-[3'-(N-METHYL-S-PHENYLSULFONIMIDOYL)-1'-CYCLOHEXYL-ALLYL]-5-OXO-1,3-BIS-(TOLUENE-4-SULFONYL)-IMIDAZOLIDINE-2-CARBOXYLIC-ACETIC-ACID-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H43N3O8S3
InChI InChI=1S/C36H43N3O8S3/c1-5-47-36(41)34-38(49(43,44)30-20-16-26(2)17-21-30)33(35(40)39(34)50(45,46)31-22-18-27(3)19-23-31)32(28-12-8-6-9-13-28)24-25-48(42,37-4)29-14-10-7-11-15-29/h7,10-11,14-25,28,32-34H,5-6,8-9,12-13H2,1-4H3/b25-24+/t32-,33-,34+,48?/m0/s1
InChIKey MULHZVIZYMQGTO-ICMRKMQVSA-N
Literature Reference Author M.SCHLEUSNER,H.J.GAIS,S.KOEP,G.RAABE
Literature Reference Citation J.AM.CHEM.SOC.,124,7789(2002)
Literature Reference DOI 10.1021/ja0201799
Molecular Weight 741.933 g/mol
Sample ID 49724
Solvent CDCl3