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(+)-(E)-(S(S),2S,3R)-2-AMINO-5-(N-METHYL-S-PHENYLSULFONIMIDOYL)-3-CYCLOHEXYL-PENT-4-ENOIC-ACETIC-ACID-ETHYLESTER
SpectraBase Compound ID 4Ih82iKAZv7
InChI InChI=1S/C20H30N2O3S/c1-3-25-20(23)19(21)18(16-10-6-4-7-11-16)14-15-26(24,22-2)17-12-8-5-9-13-17/h5,8-9,12-16,18-19H,3-4,6-7,10-11,21H2,1-2H3/b15-14+/t18-,19-,26?/m1/s1
InChIKey QMFCPCSMYMACPS-JUIJMGAASA-N
Mol Weight 378.53 g/mol
Molecular Formula C20H30N2O3S
Exact Mass 378.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ke046gounT
Name (+)-(E)-(S(S),2S,3R)-2-AMINO-5-(N-METHYL-S-PHENYLSULFONIMIDOYL)-3-CYCLOHEXYL-PENT-4-ENOIC-ACETIC-ACID-ETHYLESTER
Compound Number H-2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30N2O3S
InChI InChI=1S/C20H30N2O3S/c1-3-25-20(23)19(21)18(16-10-6-4-7-11-16)14-15-26(24,22-2)17-12-8-5-9-13-17/h5,8-9,12-16,18-19H,3-4,6-7,10-11,21H2,1-2H3/b15-14+/t18-,19-,26?/m1/s1
InChIKey QMFCPCSMYMACPS-JUIJMGAASA-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 378.530 g/mol
Sample ID 49726
Solvent CDCl3