39777-05-4

p-丁氧基苄烯-p-戊基苯胺(39777-05-4)红外图谱(IR1)

产品名称:p-丁氧基苄烯-p-戊基苯胺

CAS:39777-05-4

分子式:C22H29NO

分子量: 323.47

InChI:InChI=1S/C22H29NO/c1-3-5-7-8-19-9-13-21(14-10-19)23-18-20-11-15-22(16-12-20)24-17-6-4-2/h9-16,18H,3-8,17H2,1-2H3

InChIKey: HRVNADYIJXVWHM-UHFFFAOYSA-N

Smiles:C1(N=CC2=CC=C(OCCCC)C=C2)=CC=C(CCCCC)C=C1

Mass

MS-IW-7438          
N-(4-butoxybenzylidene)-4-pentylaniline
C22H29NO            (Mass of molecular ion:    323)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      29.0       1.6
      41.0       1.5
      43.0       1.8
      65.0       1.0
      77.0       1.0
      89.0       1.0
      90.0       2.7
      91.0       1.8
     180.0       1.6
     181.0       1.0
     196.0       1.0
     209.0       1.5
     210.0      32.8
     211.0       5.3
     266.0      65.4
     267.0      16.8
     268.0       2.1
     323.0     100.0
     324.0      24.6
     325.0       3.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₂₂ H₂₉ N O	0.041 g : 0.5 ml CDCl₃
N-(4-butoxybenzylidene)-4-pentylaniline

    Assign.     Shift(ppm)

      A             8.383
      B             7.815
      C             7.177
      D             7.129
      E             6.954
      F             4.008
      G             2.605
      J             1.783
      K             1.619
      L             1.502
      M             1.33
      N             0.983
      P             0.895

     Hz     ppm     Int.

   3350.46   8.384    481
   3130.74   7.834     42
   3128.05   7.827    372
   3126.22   7.823    125
   3121.22   7.810    119
   3119.38   7.806    408
   3116.70   7.799     52
   2876.34   7.198     30
   2874.27   7.192    210
   2872.31   7.188     89
   2868.04   7.177    118
   2865.72   7.171    465
   2854.00   7.142    100
   2852.05   7.137    562
   2849.85   7.131    143
   2845.58   7.121     99
   2843.51   7.116    261
   2841.55   7.111     39
   2786.38   6.973     46
   2783.69   6.966    399
   2781.86   6.961    128
   2776.86   6.949    116
   2774.90   6.944    392
   2772.22   6.937     49
   1608.64   4.026    246
   1602.17   4.009    525
   1595.58   3.993    261
   1049.07   2.625    164
   1041.38   2.606    212
   1033.57   2.587    181
    727.54   1.821     53
    721.07   1.805    137
    717.90   1.797     52
    714.60   1.789    139
    713.62   1.786    168
    712.04   1.782    116
    711.43   1.781    115
    708.13   1.772     63
    705.81   1.767    158
    699.34   1.750     70
    663.94   1.662     32
    656.37   1.643     87
    648.93   1.624    118
    645.87   1.617     70
    643.07   1.610     67
    641.36   1.605     95
    633.79   1.586     38
    619.14   1.550     36
    611.69   1.531    120
    605.96   1.517     71
    604.00   1.512    181
    598.51   1.498     76
    596.44   1.493    189
    591.19   1.480     36
    589.11   1.475    121
    581.79   1.456     36
    547.36   1.370     32
    540.65   1.353     80
    538.21   1.347    170
    534.42   1.338    259
    531.13   1.329    299
    527.22   1.320    183
    523.80   1.311     77
    522.34   1.307     78
    519.04   1.299     43
    400.15   1.002    483
    392.70   0.983   1000
    385.38   0.965    423
    364.87   0.913    213
    357.91   0.896    696
    354.00   0.886     80
    350.83   0.878    215

in CDCl3