108-44-1

3-甲基苯胺(108-44-1)質(zhì)譜(MS)

產(chǎn)品名稱:3-甲基苯胺

CAS:108-44-1

分子式:C7H9N

分子量: 107.15

InChI:InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3

InChIKey: JJYPMNFTHPTTDI-UHFFFAOYSA-N

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

Mass

MS-NW-2181          
m-toluidine
C7H9N               (Mass of molecular ion:    107)

   Source Temperature: 270 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       2.6
      28.0       3.9
      30.0       1.4
      38.0       2.2
      39.0       7.3
      40.0       1.3
      41.0       2.6
      42.0       2.1
      50.0       2.3
      51.0       4.6
      52.0       4.1
      52.5       1.3
      53.0       5.3
      53.5       2.3
      54.0       2.0
      62.0       1.0
      63.0       2.5
      64.0       1.3
      65.0       4.1
      66.0       1.7
      77.0      12.2
      78.0       4.4
      79.0      13.7
      80.0       5.1
      89.0       2.7
      90.0       2.8
      91.0       3.6
     104.0       2.2
     105.0       1.0
     106.0      81.1
     107.0     100.0
     108.0       7.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₉ N	0.04 ml : 0.5 ml CDCl₃
m-toluidine

    Assign.     Shift(ppm)

      A             7.01
      B             6.56
      C             6.49
      D             6.47
      E             3.46
      F             2.25

     Hz     ppm     Int.

    637.38   7.117     76
    629.94   7.034    125
    628.75   7.021    107
    626.88   7.000     39
    621.44   6.939    159
    592.88   6.620     54
    592.19   6.613     92
    591.56   6.606    131
    590.88   6.598    138
    590.25   6.591    119
    589.56   6.583     84
    583.88   6.520    113
    582.06   6.500    273
    581.50   6.493    309
    580.81   6.486    288
    580.19   6.479    252
    579.50   6.471    210
    578.81   6.463    150
    577.88   6.453     95
    577.19   6.445     77
    575.75   6.429     86
    575.19   6.423     99
    574.63   6.417     91
    574.06   6.410     77
    573.50   6.404     56
    572.81   6.396     45
    572.25   6.390     40
    310.19   3.464    810
    201.06   2.245   1000

in CDCl3