4-硝基苯偶氮(607-96-5)紅外圖譜(IR1)
分子式:C13H11N3O4
分子量: 273.24
InChI:InChI=1S/C13H11N3O4/c1-8-6-11(17)7-12(18)13(8)15-14-9-2-4-10(5-3-9)16(19)20/h2-7,17-18H,1H3
InChIKey: XDOOUKIUNUWEFT-UHFFFAOYSA-N
Smiles:C1(O)=CC(C)=C(N=NC2=CC=C([N+]([O-])=O)C=C2)C(O)=C1
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Assign. Shift(ppm)
A 14.72
B 11.14
C 8.352
D 7.962
E 6.442
F 6.094
G 2.51
Assigned with 2D spectra.Peak G overlapped to the
solvent peak. The solvent peak was not deleted
completely. The part of residual water peak was
removed from this spectrum.
Spectral Code: 1H NMR : in DMSO-d6
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ppm Int. Assign.
166.27 113 1
162.28 491 2
152.66 298 3
146.17 294 4
144.38 496 5
131.86 391 6
125.18 1000 7
120.76 778 8
112.93 259 9
101.29 440 10
17.65 712 11
Assigned with 2D spectra.
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : KBr disc