2-Propylaniline(1821-39-2) IR1

Product Name2-Propylaniline

CAS 1821-39-2

Molecular FormulaC9H13N

Molecular Weight135.21

InChIInChI=1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3

InChIKey WKURVXXDGMYSDP-UHFFFAOYSA-N

SmilesC1(N)=CC=CC=C1CCC

Request For Quotation

Mass

MS-NW-9543          
o-propylaniline
C9H13N              (Mass of molecular ion:    135)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       3.2
      30.0       1.4
      39.0       2.2
      51.0       1.9
      52.0       1.3
      53.0       1.2
      63.0       1.0
      65.0       2.4
      66.0       1.0
      77.0       8.0
      78.0       2.5
      79.0       7.1
      89.0       1.0
      91.0       2.2
      93.0       1.6
     104.0       1.2
     106.0     100.0
     107.0       9.0
     115.0       1.2
     117.0       1.2
     118.0       1.7
     119.0       1.0
     120.0       1.6
     135.0      29.5
     136.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
o-propylaniline

    Assign.     Shift(ppm)

      A             7.00
      B             6.703
      C             6.596
      D             3.51
      E             2.412
      F             1.609
      G             0.965

     Hz     ppm     Int.

   2803.22   7.015    354
   2795.53   6.995    477
   2788.09   6.977    157
   2786.50   6.973    116
   2686.52   6.723    146
   2685.30   6.720    154
   2679.08   6.704    229
   2677.86   6.701    256
   2671.75   6.686    117
   2670.41   6.682    121
   2640.50   6.608    219
   2632.81   6.588    218
   1402.71   3.510    152
    971.92   2.432    284
    964.36   2.414    339
    956.42   2.394    308
    662.11   1.657     62
    654.79   1.639    212
    652.47   1.633     34
    647.22   1.620    295
    639.53   1.601    318
    634.64   1.588     34
    633.67   1.586     56
    631.96   1.582    218
    624.63   1.563     67
    392.82   0.983    619
    385.50   0.965   1000
    378.05   0.946    557

in CDCl3