4-(4-Nitrophenyl)azoresorcinol (74-39-5) ¹³C NMR

Product Name4-(4-Nitrophenyl)azoresorcinol

CAS 74-39-5

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-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

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