煙酸(59-67-6)紅外圖譜(IR1)
InChI:InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
Smiles:C1=NC=CC=C1C(O)=O
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Assign. Shift(ppm)
A 13.5
B 9.129
C 8.832
D 8.315
E 7.581
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
166.23 315 1
153.18 888 2
150.21 906 3
136.90 1000 4
126.66 106 5
123.71 418 6
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: ESR : UV IRRAD. OF NA SALT IN H2O RICH MIXED SOLV.