94-68-8

N-乙基-2-甲基苯胺(94-68-8)質(zhì)譜(MS)

產(chǎn)品名稱:N-乙基-2-甲基苯胺

CAS:94-68-8

分子式:C9H13N

分子量: 135.21

InChI:InChI=1S/C9H13N/c1-3-10-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3

InChIKey: MWOUGPLLVVEUMM-UHFFFAOYSA-N

Smiles:C1(NCC)=CC=CC=C1C

Mass

MS-NW-0553          
N-ethyl-o-toluidine
C9H13N              (Mass of molecular ion:    135)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.6
      27.0       2.5
      28.0       1.6
      29.0       1.0
      30.0       1.0
      39.0       4.2
      41.0       1.5
      42.0       1.0
      44.0       1.0
      50.0       1.2
      51.0       3.4
      52.0       1.9
      53.0       1.3
      58.5       1.4
      59.5       1.4
      60.0       1.5
      63.0       2.0
      65.0       7.9
      77.0       6.6
      78.0       2.3
      79.0       2.4
      89.0       1.6
      91.0      18.4
      92.0       3.3
      93.0       2.1
     104.0       1.4
     106.0       6.7
     107.0       1.2
     117.0       1.4
     118.0       6.9
     119.0       2.6
     120.0     100.0
     121.0       9.1
     134.0       6.5
     135.0      42.9
     136.0       4.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
N-ethyl-o-toluidine

    Assign.     Shift(ppm)

      A             7.104
      B             7.020
      C             6.632
      D             6.582
      E             3.28
      F             3.144
      G             2.092
      J             1.256

     Hz     ppm     Int.

   2848.14   7.127     57
   2847.66   7.126     58
   2846.56   7.123     65
   2840.21   7.107    119
   2839.60   7.106    118
   2839.11   7.104    121
   2838.62   7.103    123
   2832.76   7.089     66
   2832.28   7.087     66
   2831.05   7.084     74
   2810.18   7.032    117
   2809.33   7.030    114
   2802.86   7.014    128
   2802.00   7.012    123
   2658.33   6.652     91
   2657.10   6.649    101
   2650.88   6.634    163
   2649.78   6.631    177
   2643.55   6.615     78
   2642.46   6.612     85
   2634.77   6.593    163
   2626.71   6.573    150
   1267.46   3.172    150
   1260.38   3.154    429
   1253.30   3.136    424
   1246.09   3.118    152
    836.43   2.093   1000
    509.28   1.275    538
    502.20   1.257    938
    495.00   1.239    489

in CDCl3