24742-30-1

p-乙氧基苄烯-p-氨基苄腈(24742-30-1)质谱(MS)

产品名称:p-乙氧基苄烯-p-氨基苄腈

CAS:24742-30-1

分子式:C16H14N2O

分子量: 250.3

InChI:InChI=1S/C16H14N2O/c1-2-19-16-9-5-14(6-10-16)12-18-15-7-3-13(11-17)4-8-15/h3-10,12H,2H2,1H3/b18-12+

InChIKey: YFZISFITJTVAET-LDADJPATSA-N

Smiles:C(#N)C1=CC=C(/N=C/C2=CC=C(OCC)C=C2)C=C1

Mass

MS-IW-9622          
p-cyano-N-(p-ethoxybenzylidene)aniline
C16H14N2O           (Mass of molecular ion:    250)

   Source Temperature: 180 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      27.0       3.6
      28.0       1.9
      29.0       5.4
      38.0       1.0
      39.0       5.4
      50.0       2.7
      51.0       7.8
      52.0       1.8
      62.0       1.0
      63.0       3.1
      64.0       2.3
      65.0      17.4
      66.0       2.1
      75.0       6.5
      76.0       4.8
      77.0       3.4
      90.0       1.1
      91.0       2.0
      93.0       7.2
      94.0       4.7
     102.0      30.7
     103.0       3.1
     118.0       4.4
     119.0       1.8
     120.0       4.4
     121.0       1.2
     129.0       7.0
     130.0       2.6
     139.0       1.1
     140.0       1.4
     164.0       1.0
     166.0       1.8
     176.0       1.1
     177.0       1.0
     191.0       1.0
     192.0       4.5
     193.0       3.5
     204.0       1.8
     221.0     100.0
     222.0      61.5
     223.0       8.8
     249.0      13.2
     250.0      92.5
     251.0      16.8
     252.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₆ H₁₄ N₂ O	0.041 g : 0.5 ml CDCl₃
p-cyano-N-(p-ethoxybenzylidene)aniline

    Assign.     Shift(ppm)

      A             8.31
      B             7.83
      C             7.64
      D             7.20
      E             6.98
      F             4.110
      G             1.452

     Hz     ppm     Int.

    744.13   8.309    398
    706.06   7.884    284
    704.88   7.871    169
    704.25   7.864    132
    699.38   7.810     98
    697.38   7.787    374
    696.00   7.772    168
    689.63   7.701    346
    687.56   7.678    114
    682.94   7.626    130
    680.81   7.602    492
    678.94   7.581     80
    648.44   7.241    494
    646.31   7.217    131
    641.69   7.165    103
    639.63   7.142    319
    629.13   7.025    424
    627.19   7.004    121
    622.25   6.948     99
    620.31   6.927    332
    378.94   4.232    113
    371.81   4.152    383
    364.75   4.073    397
    357.94   3.997    131
    136.81   1.528    490
    129.88   1.451   1000
    122.81   1.372    431

in CDCl3