4-(4-Nitrophenyl)azoresorcinol (74-39-5) 1H NMR
Product Name4-(4-Nitrophenyl)azoresorcinol
CAS74-39-5
Molecular FormulaC12H9N3O4
Molecular Weight259.22
InChIInChI=1S/C12H9N3O4/c16-10-5-6-11(12(17)7-10)14-13-8-1-3-9(4-2-8)15(18)19/h1-7,16-17H
InChIKey NGPGYVQZGRJHFJ-UHFFFAOYSA-N
SmilesC1(O)=CC=C(N=NC2=CC=C([N+]([O-])=O)C=C2)C(O)=C1
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MassMS-NW-2483 4-(p-nitrophenylazo)resorcinol C12H9N3O4 (Mass of molecular ion: 259)
Source Temperature: 200 °C Sample Temperature: 200 °C Direct, 75 eV
17.0 2.5 18.0 13.4 26.0 1.4 27.0 7.5 28.0 9.4 29.0 1.7 30.0 5.4 37.0 1.3 38.0 2.9 39.0 12.3 40.0 1.5 41.0 2.2 42.0 1.4 43.0 1.3 44.0 1.5 50.0 7.0 51.0 5.4 52.0 7.3 53.0 14.9 54.0 1.5 55.0 3.7 62.0 1.8 63.0 7.2 64.0 5.4 65.0 5.5 66.0 2.0 67.0 1.5 68.0 1.5 69.0 18.5 74.0 1.2 75.0 8.0 76.0 9.4 77.0 2.3 78.0 1.0 79.0 2.7 80.0 6.4 81.0 42.7 82.0 2.6 90.0 1.0 91.0 1.7 92.0 11.0 93.0 2.3 95.0 3.5 106.0 1.4 107.0 2.1 108.0 4.0 109.0 100.0 110.0 8.1 120.0 2.3 122.0 11.6 123.0 1.6 128.0 1.1 137.0 96.5 138.0 10.0 139.0 1.2 184.0 1.9 199.0 1.3 201.0 1.0 229.0 5.2 259.0 45.0 260.0 6.2
400 MHz in DMSO-d6 at 50C
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1H NMR 399.65 MHz C12 H9 N3 O4 0.032 g : 0.5 ml DMSO-d6 at 50C 4-(p-nitrophenylazo)resorcinol 
Assign. Shift(ppm)
A *1 12.3 B *1 10.8 C 8.337 D 8.017 E 7.677 F 6.539 G 6.385
Hz ppm Int.4915.82 12.301 220 4314.30 10.796 32 3350.66 8.384 36 3350.30 8.384 38 3336.56 8.349 892 3327.77 8.327 1000 3315.86 8.297 43 3313.30 8.291 30 3223.18 8.066 33 3220.62 8.059 47 3219.70 8.057 51 3219.33 8.056 52 3208.16 8.028 979 3199.37 8.006 867 3187.10 7.975 36 3084.16 7.718 30 3072.80 7.689 548 3064.01 7.667 563 3055.03 7.645 32 2627.71 6.576 31 2618.91 6.554 382 2617.08 6.549 399 2609.94 6.531 376 2608.29 6.527 379 2600.23 6.507 33 2599.87 6.506 31 2599.32 6.504 30 2564.33 6.417 33 2552.79 6.388 695 2551.33 6.384 670 2542.53 6.362 49 2540.52 6.357 34
in DMSO-d6 at 50C
KBr disc
