102-56-7

2,5-二甲氧基苯胺(102-56-7)质谱(MS)

产品名称:2,5-二甲氧基苯胺

CAS:102-56-7

分子式:C8H11NO2

分子量: 153.18

InChI:InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3

InChIKey: NAZDVUBIEPVUKE-UHFFFAOYSA-N

Smiles:C1(N)=CC(OC)=CC=C1OC

Mass

MS-NW-4879          
2,5-dimethoxyaniline
C8H11NO2            (Mass of molecular ion:    153)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.2
      26.0       1.0
      28.0       2.4
      38.0       1.1
      39.0       3.0
      40.0       1.7
      41.0       5.1
      50.0       1.3
      51.0       3.1
      52.0       5.5
      53.0       2.6
      54.0       2.2
      63.0       1.1
      65.0       2.4
      66.0       1.3
      67.0       6.6
      68.0       2.8
      69.0       1.3
      77.0       1.0
      78.0       2.2
      79.0       3.0
      80.0       1.8
      82.0       1.4
      92.0       1.3
      93.0       1.1
      95.0      17.3
      96.0       1.4
     107.0       1.6
     110.0      26.8
     111.0       4.0
     122.0       2.2
     138.0     100.0
     139.0       8.1
     153.0      53.4
     154.0       5.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N O₂	0.040 g : 0.5 ml CDCl₃
2,5-dimethoxyaniline

    Assign.     Shift(ppm)

      A             6.680
      B             6.29
      C             6.26
      D     *1      3.787
      E     *1      3.715
     
     CONFIRMED BY LAOCN CALCULATION

     Hz     ppm     Int.

    603.44   6.738     75
    594.94   6.643    111
    567.19   6.334     88
    564.88   6.308    179
    564.31   6.301    153
    563.00   6.287    155
    560.19   6.255     50
    554.63   6.193     79
    551.75   6.161     50
    346.19   3.866     24
    345.38   3.857     31
    344.88   3.851     32
    339.25   3.788    909
    336.38   3.756    129
    332.75   3.716   1000
    328.44   3.668     53
    328.13   3.664     52
    327.44   3.657     46
    326.81   3.650     39
    323.44   3.612     25

in CDCl3