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

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(1S,2S)-N(1)-(2-FLUORO-4-METHOXYPHENYL)-N(2)-[(S)-1-PHENYLETHYL]-CYCLOHEXANE-1,2-DIAMINE
SpectraBase Compound ID D347ZBaHYET
InChI InChI=1S/C21H27FN2O/c1-15(16-8-4-3-5-9-16)23-20-10-6-7-11-21(20)24-19-13-12-17(25-2)14-18(19)22/h3-5,8-9,12-15,20-21,23-24H,6-7,10-11H2,1-2H3/t15-,20-,21-/m0/s1
InChIKey SCVCNHCOSFXYEW-JHVJFLLYSA-N
Mol Weight 342.46 g/mol
Molecular Formula C21H27FN2O
Exact Mass 342.210742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5i6cuVuqqk
Name (1S,2S)-N(1)-(2-FLUORO-4-METHOXYPHENYL)-N(2)-[(S)-1-PHENYLETHYL]-CYCLOHEXANE-1,2-DIAMINE
Compound Number (1S,2S,1'S)-#3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27FN2O
InChI InChI=1S/C21H27FN2O/c1-15(16-8-4-3-5-9-16)23-20-10-6-7-11-21(20)24-19-13-12-17(25-2)14-18(19)22/h3-5,8-9,12-15,20-21,23-24H,6-7,10-11H2,1-2H3/t15-,20-,21-/m0/s1
InChIKey SCVCNHCOSFXYEW-JHVJFLLYSA-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 342.457 g/mol
Sample ID 72682
Solvent CDCl3