60484-67-5

4-正庚基苯甲腈(60484-67-5)核磁图(¹HNMR)

产品名称:4-正庚基苯甲腈

CAS:60484-67-5

分子式:C14H19N

分子量: 201.31

InChI:InChI=1S/C14H19N/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h8-11H,2-7H2,1H3

InChIKey: XTIKBCXMOYZUMG-UHFFFAOYSA-N

Smiles:C(#N)C1=CC=C(CCCCCCC)C=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4052          
p-heptylbenzonitrile
C14H19N             (Mass of molecular ion:    201)

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

      27.0       3.2
      29.0       5.1
      39.0       2.5
      41.0       8.8
      42.0       1.2
      43.0      40.4
      44.0       1.3
      55.0       2.8
      56.0       1.5
      57.0       5.8
      63.0       1.1
      77.0       1.8
      85.0       3.8
      89.0       6.9
      90.0       4.1
     102.0       1.2
     103.0       2.8
     104.0       2.5
     115.0       1.0
     116.0      23.2
     117.0     100.0
     118.0      10.1
     129.0       2.7
     130.0       5.1
     131.0       1.5
     144.0       1.8
     145.0       1.2
     158.0       2.9
     201.0      21.4
     202.0       3.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₉ N	0.05 ml : 0.5 ml CDCl₃
p-heptylbenzonitrile

    Assign.     Shift(ppm)

      A             7.541
      B             7.270
      C             2.651
      D             1.608
      E             1.30
      F             1.29
      G             0.873

     Hz     ppm     Int.

   3020.02   7.557    138
   3018.31   7.553    648
   3016.48   7.548    227
   3011.84   7.537    269
   3010.01   7.532    701
   3008.42   7.528    140
   2910.64   7.283    291
   2909.30   7.280    635
   2907.35   7.275    214
   2901.25   7.260    496
   2900.76   7.259    521
   1067.38   2.671    312
   1059.81   2.652    386
   1051.88   2.633    330
    658.45   1.648     44
    657.35   1.645     40
    650.88   1.629    136
    643.43   1.610    187
    637.70   1.596    126
    635.86   1.592    142
    630.00   1.577     49
    628.54   1.573     53
    530.64   1.328    227
    526.86   1.319    339
    526.25   1.317    338
    522.83   1.309    576
    518.68   1.298    467
    516.48   1.293    488
    510.86   1.279    324
    505.86   1.266    397
    501.95   1.256    297
    493.41   1.235     92
    487.43   1.220     44
    356.32   0.892    347
    349.49   0.875   1000
    342.29   0.857    401

in CDCl3