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(1R,2R)-N(1)-(2-FLUORO-4-ISOPROPOXYPHENYL)-N(2)-[(S)-1-PHENYLETHYL]-CYCLOHEXANE-1,2-DIAMINE

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(1R,2R)-N(1)-(2-FLUORO-4-ISOPROPOXYPHENYL)-N(2)-[(S)-1-PHENYLETHYL]-CYCLOHEXANE-1,2-DIAMINE
SpectraBase Compound ID LaceCTKBB9N
InChI InChI=1S/C23H31FN2O/c1-16(2)27-19-13-14-21(20(24)15-19)26-23-12-8-7-11-22(23)25-17(3)18-9-5-4-6-10-18/h4-6,9-10,13-17,22-23,25-26H,7-8,11-12H2,1-3H3/t17-,22+,23+/m0/s1
InChIKey WPQRLACOIKPTAN-JJEOQYAHSA-N
Mol Weight 370.51 g/mol
Molecular Formula C23H31FN2O
Exact Mass 370.242042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeAzBDV4kt7
Name (1R,2R)-N(1)-(2-FLUORO-4-ISOPROPOXYPHENYL)-N(2)-[(S)-1-PHENYLETHYL]-CYCLOHEXANE-1,2-DIAMINE
Compound Number (1R,2R,1'S)-#4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31FN2O
InChI InChI=1S/C23H31FN2O/c1-16(2)27-19-13-14-21(20(24)15-19)26-23-12-8-7-11-22(23)25-17(3)18-9-5-4-6-10-18/h4-6,9-10,13-17,22-23,25-26H,7-8,11-12H2,1-3H3/t17-,22+,23+/m0/s1
InChIKey WPQRLACOIKPTAN-JJEOQYAHSA-N
Literature Reference Author K.YOSHIDA,T.INOKUMA,K.TAKASU,Y.TAKEMOTO
Literature Reference Citation MOLECULES,15,8305(2010)
Literature Reference DOI 10.3390/molecules15118305
Molecular Weight 370.510 g/mol
Sample ID 72687
Solvent CDCl3