喹啉-8-磺酸钠(70086-60-1)核磁图(1HNMR)
分子式:C9H6NNaO3S
分子量: 231.2
InChI:InChI=1S/C9H7NO3S.Na/c11-14(12,13)8-5-1-3-7-4-2-6-10-9(7)8;/h1-6H,(H,11,12,13);/q;+1/p-1
InChIKey: MVSFBDVHKAFARZ-UHFFFAOYSA-M
Smiles:C12=NC=CC=C1C=CC=C2S([O-])(=O)=O.[Na+]
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Assign. Shift(ppm)
A 9.032
B 8.438
C 8.267
D 8.045
E 7.609
F 7.596
J(A,F)=4.3HZ
J(A,B)=1.8HZ
J(B,F)=8.4HZ
J(C,E)=8.7HZ
J(C,D)=1.5HZ
J(D,E)=8.2HZ
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
150.90 886 1
143.48 586 2 *
142.52 774 3 *
136.84 892 4
130.41 923 5
128.57 1000 6
128.36 748 7
125.37 962 8
121.14 990 9
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc