順-3-氨基環(huán)己甲酸(16636-51-4)核磁圖(1HNMR)
InChI:InChI=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 7
Spectral 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