(1R,3S)-3-Aminocyclohexanecarboxylic Acid(16636-51-4) IR1
Product Name(1R,3S)-3-Aminocyclohexanecarboxylic Acid
CAS16636-51-4
Molecular FormulaC7H13NO2
Molecular Weight143.18
InChIInChI=1/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/t5-,6+/s3
InChIKey CKTUXQBZPWBFDX-KIJMNMGRNA-N
Smiles[C@@H]1(C(O)=O)CCC[C@H](N)C1 |&1:0,7,r|
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Assign. Shift(ppm)
B 3.219 C 2.270 D 2.175 E 2.002 F 1.91 G 1.434 J 1.38 K 1.34 L 1.26 ASSIGNED BY H-H COSY. J(C,L)=J(C,G)=12.2HZ J(C,F)=J(C,D)=3.4HZ J(B,K)=J(B,G)=11.6HZ J(B,E)=J(B,D)=4.0HZ J(D,G)=-12.1HZ THE SOLVENT SIGNAL REMOVED.Spectral Code: 1H NMR : 400 MHz in D2O
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ppm Int. Assign.
184.21 935 1 50.61 915 2 45.59 1000 3 34.29 761 4 30.66 716 5 29.24 726 6 24.08 761 7Spectral Code: 13C NMR : D2O
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder
