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(+)-(E)-(S(S),2S,3R)-3-ISOPROPYL-5-PHENYL-2-(2-METHYLPROPANE-2-SULFONYLAMINO)-PENT-4-ENOIC-ACID-ETHYLESTER
SpectraBase Compound ID KXDG8wjntPu
InChI InChI=1S/C20H31NO4S/c1-7-25-19(22)18(21-26(23,24)20(4,5)6)17(15(2)3)14-13-16-11-9-8-10-12-16/h8-15,17-18,21H,7H2,1-6H3/b14-13+/t17-,18+/m1/s1
InChIKey GPYYAQBKSFAGQE-JUWLWVHDSA-N
Mol Weight 381.53 g/mol
Molecular Formula C20H31NO4S
Exact Mass 381.19738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86UWkR611ri
Name (+)-(E)-(S(S),2S,3R)-3-ISOPROPYL-5-PHENYL-2-(2-METHYLPROPANE-2-SULFONYLAMINO)-PENT-4-ENOIC-ACID-ETHYLESTER
Compound Number BUS-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31NO4S
InChI InChI=1S/C20H31NO4S/c1-7-25-19(22)18(21-26(23,24)20(4,5)6)17(15(2)3)14-13-16-11-9-8-10-12-16/h8-15,17-18,21H,7H2,1-6H3/b14-13+/t17-,18+/m1/s1
InChIKey GPYYAQBKSFAGQE-JUWLWVHDSA-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 381.530 g/mol
Sample ID 49727
Solvent CDCl3