3-(1-羥乙基）苯胺(2454-37-7)質(zhì)譜(MS)

產(chǎn)品名稱:3-(1-羥乙基）苯胺

CAS:2454-37-7

分子式:C8H11NO

分子量: 137.18

InChI:InChI=1S/C8H11NO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,9H2,1H3

InChIKey: QPKNDHZQPGMLCJ-UHFFFAOYSA-N

Smiles:C(C1C=CC=C(N)C=1)(O)C

Mass

MS-NW-8936          
3-amino-alpha-methylbenzyl alcohol
C8H11NO             (Mass of molecular ion:    137)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.7
      27.0       1.5
      28.0       2.4
      38.0       1.1
      39.0       6.7
      40.0       1.2
      41.0       4.0
      42.0       1.6
      43.0      11.0
      45.0       2.0
      46.5       1.0
      50.0       1.1
      51.0       3.3
      52.0       2.3
      53.0       1.7
      54.0       1.6
      55.0       1.5
      58.5       1.3
      61.0       4.7
      63.0       2.8
      64.0       1.8
      65.0      12.8
      66.0       7.3
      67.0       3.9
      68.0       1.0
      69.0       1.0
      71.0       3.3
      76.0       1.1
      77.0      24.0
      78.0       2.8
      79.0       1.0
      80.0       1.0
      81.0       2.2
      82.0       1.2
      91.0       5.2
      92.0       8.0
      93.0      13.1
      94.0     100.0
      95.0       8.9
     103.0       1.0
     105.0       1.4
     106.0       1.7
     117.0       1.3
     118.0       4.2
     119.0       4.0
     120.0       6.6
     121.0       2.7
     122.0      28.5
     123.0       3.0
     136.0       2.1
     137.0      57.7
     138.0       5.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N O	0.035 g : 0.5 ml CDCl₃
3-amino-alpha-methylbenzyl alcohol

    Assign.     Shift(ppm)

      A             7.090
      B             6.70
      C             6.65
      D             6.55
      E             4.727
      F             3.3
      G             1.419

     Hz     ppm     Int.

    644.06   7.192     73
    643.13   7.181     67
    636.56   7.108    149
    635.81   7.100    181
    629.00   7.024    137
    628.31   7.016    148
    606.06   6.768     86
    604.44   6.749    163
    603.88   6.743    131
    603.31   6.737    135
    602.81   6.731    116
    597.06   6.667    257
    596.63   6.662    250
    595.44   6.649    262
    594.25   6.636    191
    593.38   6.626    140
    592.56   6.617     95
    591.69   6.607    181
    590.56   6.595    154
    589.31   6.581     97
    588.19   6.568     78
    584.06   6.522    109
    582.75   6.507     99
    581.88   6.498     80
    580.50   6.482     67
    427.13   4.770    133
    420.69   4.698    145
    414.19   4.625     56
    292.25   3.264     90
    130.25   1.455   1000
    123.81   1.383    946

in CDCl3