621-33-0

間氨基苯乙醚(621-33-0)質(zhì)譜(MS)

產(chǎn)品名稱:間氨基苯乙醚

CAS:621-33-0

分子式:C8H11NO

分子量: 137.18

InChI:InChI=1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3

InChIKey: WEZAHYDFZNTGKE-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-5417          
m-phenetidine
C8H11NO             (Mass of molecular ion:    137)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       1.3
      27.0       7.5
      28.0       4.2
      29.0       4.8
      38.0       2.1
      39.0       7.6
      40.0       1.8
      41.0       3.8
      42.0       2.1
      50.0       1.3
      51.0       2.8
      52.0       5.7
      53.0       8.9
      54.0       3.3
      62.0       1.1
      63.0       3.1
      64.0       3.1
      65.0       9.7
      66.0       3.7
      67.0       1.0
      68.0       2.7
      69.0       1.1
      78.0       1.2
      79.0       2.0
      80.0      27.1
      81.0      21.6
      82.0       4.6
      91.0       2.6
      92.0       6.6
      93.0      10.1
      94.0       4.5
     107.0       1.2
     108.0       3.3
     109.0     100.0
     110.0       7.2
     122.0       3.0
     136.0       1.6
     137.0      76.2
     138.0       7.2
     178.0       2.8
     193.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₁ N O	0.04 ml : 0.5 ml CDCl₃
m-phenetidine

    Assign.     Shift(ppm)

      A             7.02
      B             6.30
      C             6.25
      D             6.21
      E             3.956
      F             3.59
      G             1.366
     
     J(E,G)=6.99HZ.

     Hz     ppm     Int.

    637.44   7.118    108
    635.25   7.094     38
    631.13   7.048     42
    629.44   7.029    150
    629.06   7.024    151
    628.06   7.013     87
    622.25   6.948     89
    621.00   6.934    143
    620.31   6.927     53
    569.63   6.361     78
    568.63   6.350    115
    567.38   6.336    101
    566.44   6.325    158
    564.75   6.306    105
    563.75   6.295     91
    562.50   6.281    213
    561.56   6.271    146
    559.88   6.252    106
    558.31   6.234    302
    556.13   6.210    493
    554.50   6.192    270
    365.13   4.077    133
    358.06   3.998    418
    351.06   3.920    438
    344.19   3.844    157
    321.13   3.586    195
    129.06   1.442    502
    124.00   1.385     30
    122.13   1.364   1000
    115.13   1.286    439

in CDCl3