8-Hydroxyquinoline sulfate(134-31-6) 13C NMR
Molecular Formula2C9H7NO.H2O4S
Molecular Weight388.4
InChIInChI=1S/2C9H7NO.H2O4S/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-5(2,3)4/h2*1-6,11H;(H2,1,2,3,4)
InChIKey YYVFXSYQSOZCOQ-UHFFFAOYSA-N
SmilesC12=CC=CN=C1C(O)=CC=C2.C12=CC=CN=C1C(O)=CC=C2.S(=O)(=O)(O)O
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Assign. Shift(ppm)
A 9.024
B 8.794
C 7.866
D 7.645
E 7.626
F 7.349
G 5.6
J(A,B)=1.7HZ
J(A,C)=4.8HZ
J(B,C)=8.4HZ
J(D,E)=8.2HZ
J(E,F)=1.8HZ
J(D,F)=7.0HZ
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
150.64 710 1
146.11 919 2
141.37 559 3
133.36 349 4
129.23 738 5 *
128.98 961 6 *
122.08 936 7
118.11 1000 8
113.68 859 9
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc