4-PENTYLOXYANILINE(39905-50-5) ¹H NMR

Product Name4-PENTYLOXYANILINE

CAS 39905-50-5

Molecular FormulaC11H17NO

Molecular Weight179.26

InChIInChI=1S/C11H17NO/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9,12H2,1H3

InChIKey QZLNSNIHXKQIIS-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7593          
p-pentyloxyaniline
C11H17NO            (Mass of molecular ion:    179)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.1
      27.0       2.6
      29.0       2.3
      39.0       2.4
      41.0       3.5
      42.0       1.3
      43.0       4.2
      52.0       1.7
      53.0       3.1
      54.0       1.1
      55.0       1.7
      65.0       3.0
      80.0       8.2
      81.0       2.1
      92.0       2.1
      94.0       1.1
     108.0      14.4
     109.0     100.0
     110.0       7.3
     122.0       1.1
     179.0      22.2
     180.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₇ N O	0.05 ml : 0.5 ml CDCl₃
p-pentyloxyaniline

    Assign.     Shift(ppm)

      A             6.70
      B             6.58
      C             3.839
      D             3.33
      E             1.73
      F             1.43
      G             1.31
      J             0.91

     Hz     ppm     Int.

    609.31   6.804     44
    607.13   6.780    214
    606.50   6.772    176
    604.31   6.748    136
    600.75   6.708    206
    598.06   6.678    979
    595.69   6.652    260
    594.25   6.636    270
    591.88   6.609   1000
    589.13   6.579    218
    585.63   6.539    159
    583.44   6.515    200
    582.81   6.508    228
    580.44   6.482     52
    350.75   3.917    275
    348.31   3.890     69
    344.44   3.846    665
    338.00   3.775    390
    298.50   3.333    352
     81.38   0.909    617

in CDCl3