2-氯-4-甲基苯胺(615-65-6)質(zhì)譜(MS)

產(chǎn)品名稱:2-氯-4-甲基苯胺

CAS:615-65-6

分子式:C7H8ClN

分子量: 141.6

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

InChIKey: XGYLSRFSXKAYCR-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(C)C=C1Cl

Mass

MS-NW-9732          
2-chloro-p-toluidine
C7H8ClN             (Mass of molecular ion:    141)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.8
      28.0       2.7
      30.0       1.1
      38.0       1.5
      39.0       3.1
      50.0       3.4
      51.0      10.2
      51.5       2.6
      52.0       7.7
      52.5       9.2
      53.0       3.7
      54.0       1.2
      62.0       1.7
      63.0       2.7
      65.0       1.5
      70.5       3.1
      73.0       1.2
      74.0       1.1
      75.0       2.1
      76.0       2.0
      77.0      26.7
      78.0       7.4
      79.0       8.8
      80.0       1.5
      89.0       1.3
     102.0       1.0
     104.0       8.9
     105.0       3.5
     106.0      93.0
     107.0       7.7
     113.0       4.1
     114.0       1.0
     115.0       1.3
     140.0      90.1
     141.0     100.0
     142.0      36.6
     143.0      32.2
     144.0       2.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₈ Cl N	0.05 ml : 0.5 ml CDCl₃
2-chloro-p-toluidine

    Assign.     Shift(ppm)

      A             7.034
      B             6.830
      C             6.618
      D             3.86
      E             2.185

     Hz     ppm     Int.

   2812.13   7.037    195
   2810.79   7.034    206
   2735.60   6.845     94
   2734.99   6.844     98
   2733.64   6.841     96
   2733.15   6.839     87
   2727.54   6.825    116
   2726.93   6.824    120
   2725.59   6.820    120
   2725.10   6.819    111
   2648.56   6.628    295
   2640.50   6.608    254
   1541.87   3.859     62
   1541.26   3.857     62
    873.90   2.187   1000

in CDCl3