3-Methoxydiphenylamine(101-16-6) IR1

Product Name3-Methoxydiphenylamine

CAS 101-16-6

Molecular FormulaC13H13NO

Molecular Weight199.25

InChIInChI=1S/C13H13NO/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3

InChIKey MKASXAGBWHIGCF-UHFFFAOYSA-N

SmilesC1(NC2=CC=CC=C2)=CC=CC(OC)=C1

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Mass

MS-IW-6667          
3-methoxydiphenylamine
C13H13NO            (Mass of molecular ion:    199)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      39.0       1.2
      51.0       2.9
      52.0       1.1
      63.0       1.8
      64.0       1.9
      65.0       1.7
      66.0       1.0
      77.0       4.8
      78.0       1.1
      83.5       1.9
      92.0       5.5
      93.0       1.0
      99.5       3.2
     115.0       1.0
     127.0       2.0
     128.0       4.0
     129.0       4.8
     130.0       1.2
     154.0       6.4
     155.0       3.9
     156.0       4.5
     157.0       1.1
     166.0       3.1
     167.0       7.5
     168.0       7.8
     169.0       3.7
     170.0       7.5
     171.0       1.0
     183.0       6.3
     184.0       3.1
     198.0       9.5
     199.0     100.0
     200.0      14.7
     201.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₃ N O	0.040 g : 0.5 ml CDCl₃
3-methoxydiphenylamine

    Assign.     Shift(ppm)

      A             7.252
      B             7.148
      C             7.072
      D             6.928
      E             6.64
      F             6.62
      G             6.471
      J             5.69
      K             3.752

     Hz     ppm     Int.

   2906.98   7.274    109
   2906.25   7.272     50
   2905.03   7.269     44
   2900.51   7.258     63
   2899.66   7.256    155
   2898.44   7.253    173
   2896.48   7.248     31
   2893.19   7.240     53
   2891.97   7.237     61
   2891.11   7.235    154
   2865.72   7.171     60
   2858.76   7.154     46
   2857.30   7.150    117
   2856.57   7.148     89
   2849.98   7.132     59
   2849.12   7.130     70
   2832.40   7.088     32
   2831.54   7.086     42
   2830.57   7.083    169
   2829.35   7.080    200
   2828.61   7.078    107
   2827.27   7.075     56
   2823.85   7.066     53
   2822.88   7.064     87
   2821.90   7.061    159
   2820.80   7.059    140
   2776.86   6.949     38
   2775.76   6.946     67
   2774.66   6.943     39
   2769.41   6.930     53
   2768.43   6.928    115
   2767.58   6.926     52
   2762.21   6.912     33
   2761.11   6.909     56
   2760.01   6.907     30
   2656.62   6.648     52
   2655.76   6.646     61
   2654.42   6.642     85
   2653.56   6.640     88
   2649.05   6.629     83
   2647.58   6.625    239
   2646.73   6.623    145
   2646.00   6.621    208
   2644.53   6.618     62
   2591.55   6.485     64
   2590.70   6.483     68
   2589.11   6.479     61
   2588.26   6.477     60
   2583.37   6.465     60
   2581.79   6.461     83
   2580.08   6.456     53
   1499.88   3.753   1000

in CDCl3