94-70-2

o-Phenetidine(94-70-2) MS

Product Nameo-Phenetidine

CAS 94-70-2

Molecular FormulaC8H11NO

Molecular Weight137.18

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

InChIKey ULHFFAFDSSHFDA-UHFFFAOYSA-N

SmilesC1(N)=CC=CC=C1OCC

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o-Phenetidine(94-70-2) MS
Mass

MS-NW-5019          
o-phenetidine
C8H11NO             (Mass of molecular ion:    137)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       2.8
      26.0       2.7
      27.0      10.4
      28.0       5.8
      29.0       4.5
      38.0       1.9
      39.0       7.1
      40.0       1.1
      41.0       2.5
      42.0       1.1
      50.0       2.4
      51.0       5.2
      52.0       9.4
      53.0      15.3
      54.0       3.5
      63.0       3.2
      64.0       3.4
      65.0       9.5
      66.0       2.0
      77.0       1.0
      78.0       2.1
      79.0       2.1
      80.0      69.8
      81.0       6.8
      91.0       2.4
      92.0       5.6
      93.0       2.7
      94.0       1.7
     108.0     100.0
     109.0      65.9
     110.0       4.9
     122.0       1.9
     136.0       1.0
     137.0      84.0
     138.0       8.0

90 MHz in CDCl3

o-Phenetidine(94-70-2) MS

¹H NMR	89.56 MHz
C₈ H₁₁ N O	0.02 ml : 0.5 ml CDCl₃
o-phenetidine

    Assign.     Shift(ppm)

      A          6.55 to 6.89
      B             4.022
      C             3.70
      D             1.405

     Hz     ppm     Int.

    609.06   6.801     53
    608.31   6.793     81
    606.94   6.777     31
    606.63   6.774     31
    604.31   6.748    127
    602.63   6.729    772
    601.38   6.715    691
    600.94   6.710    774
    599.50   6.694    207
    597.25   6.669     45
    595.31   6.648     85
    594.69   6.641     72
    371.13   4.144    118
    364.06   4.065    401
    357.06   3.987    423
    350.19   3.911    143
    330.94   3.696    953
    132.56   1.481    482
    125.63   1.403   1000
    118.63   1.325    420

in CDCl3