4920-79-0

2-氯-4-硝基苯甲醚(4920-79-0)核磁图(¹³CNMR)

产品名称:2-氯-4-硝基苯甲醚

CAS:4920-79-0

分子式:C7H6ClNO3

分子量: 187.58

InChI:InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3

InChIKey: DLJPNXLHWMRQIQ-UHFFFAOYSA-N

Smiles:C1(OC)=CC=C([N+]([O-])=O)C=C1Cl

Mass

MS-IW-6502          
2-chloro-1-methoxy-4-nitrobenzene
C7H6ClNO3           (Mass of molecular ion:    187)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       4.5
      30.0       3.4
      31.0       1.1
      32.0       1.3
      37.0       1.3
      38.0       1.5
      50.0       3.9
      51.0       4.4
      53.0       2.7
      61.0       2.3
      62.0       5.5
      63.0      20.5
      64.0       1.5
      72.0       1.4
      73.0       1.7
      74.0       5.7
      75.0      12.1
      76.0       3.5
      77.0      17.6
      78.0       3.5
      79.0       7.8
      84.0       1.1
      86.0       1.2
      97.0       2.5
      98.0       9.4
      99.0       1.5
     100.0       3.2
     107.0      20.1
     108.0       1.6
     109.0       1.0
     110.0       1.6
     111.0      20.9
     112.0       2.1
     113.0       7.8
     114.0       1.8
     126.0      30.6
     127.0       2.2
     128.0      10.1
     129.0       2.0
     141.0       9.5
     142.0       1.5
     143.0       3.1
     157.0      23.0
     158.0       1.8
     159.0       7.6
     171.0       2.5
     187.0     100.0
     188.0       8.3
     189.0      33.1
     190.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Cl N O₃	0.038 g : 0.5 ml CDCl₃
2-chloro-1-methoxy-4-nitrobenzene

    Assign.     Shift(ppm)

      A             8.282
      B             8.172
      C             7.017
      D             4.027

     Hz     ppm     Int.

   3311.52   8.287    201
   3308.84   8.280    219
   3271.97   8.188    112
   3269.17   8.181     98
   3262.82   8.165    115
   3260.13   8.158    102
   2808.96   7.029    175
   2799.93   7.006    168
   1609.50   4.028   1000

in CDCl3