95-79-4

5-氯邻甲苯胺(95-79-4)质谱(MS)

产品名称:5-氯邻甲苯胺

CAS:95-79-4

分子式:C7H8ClN

分子量: 141.6

InChI:InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

InChIKey: WRZOMWDJOLIVQP-UHFFFAOYSA-N

Smiles:C1(N)=CC(Cl)=CC=C1C

Mass

MS-IW-1105          
5-chloro-o-toluidine
C7H8ClN             (Mass of molecular ion:    141)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      28.0       1.5
      30.0       1.3
      38.0       1.0
      39.0       1.9
      42.0       1.0
      50.0       1.9
      51.0       4.6
      51.5       1.7
      52.0       3.0
      52.5       6.4
      53.0       1.8
      63.0       2.0
      65.0       1.0
      70.5       2.2
      75.0       1.4
      76.0       1.0
      77.0      16.9
      78.0       4.3
      79.0       7.1
      80.0       1.0
      89.0       6.9
     104.0       3.9
     105.0       1.9
     106.0      74.9
     107.0       9.5
     113.0       4.3
     115.0       1.4
     124.0       2.4
     125.0       1.1
     140.0      49.4
     141.0     100.0
     142.0      23.5
     143.0      32.1
     144.0       2.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ Cl N	0.05 ml : 0.5 ml CDCl₃
5-chloro-o-toluidine

    Assign.     Shift(ppm)

      A             6.88
      B             6.63
      C             6.57
      D             3.54
      E             2.043

     Hz     ppm     Int.

    621.50   6.940     82
    620.88   6.933     82
    620.13   6.925     66
    613.94   6.856    105
    613.25   6.848    148
    612.50   6.839    162
    597.25   6.669    131
    595.19   6.646    204
    593.00   6.622     35
    589.50   6.583    187
    588.31   6.569    418
    316.81   3.538     65
    183.06   2.044   1000
    173.31   1.936     24

in CDCl3