3-ISOPROPOXYANILINE(41406-00-2) ¹H NMR

Product Name3-ISOPROPOXYANILINE

CAS 41406-00-2

Molecular FormulaC9H13NO

Molecular Weight151.21

InChIInChI=1S/C9H13NO/c1-7(2)11-9-5-3-4-8(10)6-9/h3-7H,10H2,1-2H3

InChIKey QMGBIPKOKCSUCL-UHFFFAOYSA-N

SmilesC1(N)=CC=CC(OC(C)C)=C1

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6462          
m-isopropoxyaniline
C9H13NO             (Mass of molecular ion:    151)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.6
      28.0       1.4
      39.0       4.3
      40.0       1.0
      41.0       4.7
      42.0       1.8
      43.0       2.3
      52.0       1.7
      53.0       3.7
      54.0       1.2
      63.0       1.1
      64.0       1.3
      65.0       4.1
      66.0       1.1
      68.0       1.7
      80.0      11.9
      81.0       8.7
      82.0       2.2
      91.0       1.1
      92.0       2.6
     108.0       2.8
     109.0     100.0
     110.0       7.6
     136.0       1.9
     151.0      28.7
     152.0       3.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₃ N O	0.05 ml : 0.5 ml CDCl₃
m-isopropoxyaniline

    Assign.     Shift(ppm)

      A             7.012
      B             6.292
      C             6.226
      D             6.203
      E             4.463
      F             3.62
      G             1.291

     Hz     ppm     Int.

   2810.42   7.033     99
   2810.06   7.032     94
   2802.25   7.012    194
   2794.43   6.993    114
   2520.39   6.307     73
   2519.65   6.305     81
   2518.07   6.301     82
   2517.33   6.299     84
   2512.21   6.287     67
   2511.35   6.284     74
   2509.89   6.281     78
   2509.03   6.279     79
   2494.02   6.241     81
   2493.16   6.239     86
   2491.94   6.236    113
   2491.09   6.234    104
   2486.33   6.222     62
   2485.35   6.219     73
   2484.13   6.216    133
   2483.28   6.214    120
   2481.08   6.209    147
   2478.88   6.203    188
   2476.68   6.198     87
   1796.02   4.494     38
   1789.92   4.479     93
   1783.81   4.464    123
   1777.83   4.449     94
   1771.73   4.434     39
   1447.27   3.622     69
    523.44   1.310     55
    519.04   1.299   1000
    512.94   1.284    960

in CDCl3