5-磺基水杨酸(5965-83-3)红外图谱(IR1)
InChI:InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2
InChIKey: BHDKTFQBRFWJKR-UHFFFAOYSA-N
Smiles:S(=O)(=O)(O)C1C=CC(O)=C(C(=O)O)C=1.O.O
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Assign. Shift(ppm)
A 8.304
B 7.925
C 7.081
THE SOLVENT SIGNAL REMOVED.
Spectral Code: 1H NMR : 90 MHz in D2O
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ppm Int. Assign.
172.10 576 1
162.97 752 2
135.05 736 3
133.70 848 4
129.27 856 5
118.71 1000 6
113.27 632 7
Spectral Code: 13C NMR : in D2O
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Spectral Code: IR : nujol mull