15854-73-6

4-甲氧基-3-硝基联苯(15854-73-6)质谱(MS)

产品名称:4-甲氧基-3-硝基联苯

CAS:15854-73-6

分子式:C13H11NO3

分子量: 229.23

InChI:InChI=1S/C13H11NO3/c1-17-13-8-7-11(9-12(13)14(15)16)10-5-3-2-4-6-10/h2-9H,1H3

InChIKey: HVYOIIIEAVPMCR-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=C(OC)C([N+]([O-])=O)=C1

Mass

MS-IW-7210          
4-methoxy-3-nitrobiphenyl
C13H11NO3           (Mass of molecular ion:    229)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      51.0       1.5
      63.0       2.5
      69.0       1.4
      69.5       1.7
      70.0       2.5
      75.0       1.1
      76.0       2.3
      77.0       2.3
      84.0       1.4
      89.0       1.4
     102.0       2.6
     113.0       1.3
     114.0       1.3
     114.5       3.0
     115.0       2.7
     126.0       1.0
     127.0       3.2
     128.0       6.2
     129.0       1.0
     139.0      15.0
     140.0       7.0
     141.0       5.3
     151.0       5.9
     152.0      29.1
     153.0      33.0
     154.0       5.5
     155.0       5.0
     156.0       2.2
     168.0      12.1
     169.0      16.9
     170.0       2.3
     171.0       2.1
     181.0       1.0
     182.0      11.1
     183.0       1.9
     199.0       1.7
     214.0       1.0
     229.0     100.0
     230.0      14.6
     231.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₁ N O₃	0.038 g : 0.5 ml CDCl₃
4-methoxy-3-nitrobiphenyl

    Assign.     Shift(ppm)

      A             8.065
      B             7.751
      C             7.531
      D             7.444
      E             7.368
      F             7.151
      G             3.985

     Hz     ppm     Int.

   3224.49   8.069    184
   3222.05   8.063    189
   3103.27   7.765    106
   3100.95   7.760    103
   3094.60   7.744    117
   3092.29   7.738    110
   3016.24   7.548    110
   3014.77   7.544    154
   3012.82   7.539     45
   3008.91   7.529     90
   3007.81   7.527    182
   3007.20   7.525    154
   3006.59   7.524    167
   2983.28   7.465     34
   2982.54   7.463     68
   2981.57   7.461    107
   2979.74   7.456     39
   2976.44   7.448     43
   2974.37   7.443    207
   2972.90   7.439     95
   2968.14   7.427     56
   2966.67   7.424    104
   2951.42   7.386     50
   2950.20   7.382     90
   2948.85   7.379     50
   2944.95   7.369     35
   2942.75   7.364     93
   2935.55   7.346     38
   2862.43   7.163    150
   2853.64   7.141    141
   1592.53   3.985   1000

in CDCl3