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(2R,1'S,2'S)-2-(2'-CARBOXYBENZYLAMINO-CYCLOHEXYL)-OXY-3-PHENYL-PROPIONIC-ACID;Z-COP-OH
SpectraBase Compound ID 3GJxk95bpH4
InChI InChI=1S/C23H27NO5/c25-22(26)21(15-17-9-3-1-4-10-17)29-20-14-8-7-13-19(20)24-23(27)28-16-18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16H2,(H,24,27)(H,25,26)/t19-,20-,21+/m0/s1
InChIKey IJEAOBKDBRCKGI-PCCBWWKXSA-N
Mol Weight 397.47 g/mol
Molecular Formula C23H27NO5
Exact Mass 397.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHbTaUNdHlK
Name (2R,1'S,2'S)-2-(2'-CARBOXYBENZYLAMINO-CYCLOHEXYL)-OXY-3-PHENYL-PROPIONIC-ACID;Z-COP-OH
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27NO5
InChI InChI=1S/C23H27NO5/c25-22(26)21(15-17-9-3-1-4-10-17)29-20-14-8-7-13-19(20)24-23(27)28-16-18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16H2,(H,24,27)(H,25,26)/t19-,20-,21+/m0/s1
InChIKey IJEAOBKDBRCKGI-PCCBWWKXSA-N
Literature Reference Author H.D.ARNDT,B.ZIEMER,U.KOERT
Literature Reference Citation ORG.LETTERS,6,3269(2004)
Literature Reference DOI 10.1021/ol048861q
Molecular Weight 397.471 g/mol
Sample ID 50936
Solvent CD3OD