Molecular FormulaC24H16N6O6
Molecular Weight484.42
InChIInChI=1S/C24H16N6O6/c31-19-7-3-17(4-8-19)25-27-21-11-1-15(13-23(21)29(33)34)16-2-12-22(24(14-16)30(35)36)28-26-18-5-9-20(32)10-6-18/h1-14,31-32H
InChIKey IJNGMRAUFODTLK-UHFFFAOYSA-N
SmilesC1(C2=CC=C(N=NC3=CC=C(O)C=C3)C([N+]([O-])=O)=C2)=CC=C(N=NC2=CC=C(O)C=C2)C([N+]([O-])=O)=C1
Mass
MS-NW-2364 4,4'-(3,3'-dinitro-4,4'-biphenylylenebisazo)diphenol C24H16N6O6 (Mass of molecular ion: 484)
Source Temperature: 260 °C Sample Temperature: 240 °C Direct, 75 eV
17.0 3.7 18.0 18.4 27.0 1.8 28.0 11.2 30.0 2.0 39.0 9.5 41.0 1.7 43.0 1.4 44.0 5.1 51.0 1.5 52.0 6.8 53.0 2.4 54.0 1.2 55.0 1.4 63.0 1.8 64.0 2.1 65.0 29.0 66.0 2.0 78.0 1.0 79.0 4.6 80.0 1.8 81.0 2.1 93.0 100.0 94.0 7.4 107.0 6.4 108.0 2.2 109.0 2.1 121.0 78.3 122.0 6.0 152.0 1.0 420.0 3.6 452.0 1.1 484.0 1.3
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C24 H16 N6 O6 | 0.035 g : 0.5 ml DMSO-d6 |
4,4'-(3,3'-dinitro-4,4'-biphenylylenebisazo)diphenol |
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Assign. Shift(ppm) |
Hz ppm Int.
4265.39 10.673 447 3416.42 8.549 617 3289.30 8.231 250 3288.94 8.230 250 3280.70 8.209 261 3118.78 7.804 920 3110.17 7.783 1000 2814.54 7.043 22 2813.80 7.041 22 2813.44 7.040 22 2812.89 7.039 22 2812.34 7.038 22 2810.14 7.032 27 2809.77 7.031 28 2809.41 7.030 29 2809.04 7.029 30 2808.49 7.028 32 2796.77 6.999 850 2788.16 6.977 817 2776.44 6.948 22
in DMSO-d6
KBr disc
nujol mull
PHENAZO(3687-26-1) 1H NMR Atlas of Related Products
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