106144-18-7

4-正丙氧基邻苯二甲腈(106144-18-7)质谱(MS)

产品名称:4-正丙氧基邻苯二甲腈

CAS:106144-18-7

分子式:C11H10N2O

分子量: 186.21

InChI:InChI=1S/C11H10N2O/c1-2-5-14-11-4-3-9(7-12)10(6-11)8-13/h3-4,6H,2,5H2,1H3

InChIKey: RDLZRCSOLOTEPK-UHFFFAOYSA-N

Smiles:C1(C#N)=CC=C(OCCC)C=C1C#N

Mass

MS-NW-9771          
4-propoxyphthalonitrile
C11H10N2O           (Mass of molecular ion:    186)

   Source Temperature: 140 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       1.5
      27.0      12.3
      28.0       1.3
      37.0       1.2
      38.0       1.2
      39.0       6.1
      40.0       1.0
      41.0      25.9
      42.0       6.7
      43.0      70.8
      44.0       2.3
      50.0       1.2
      52.0       1.0
      62.0       1.8
      63.0       2.0
      64.0       2.8
      75.0       1.8
      76.0       2.4
      88.0       1.8
      89.0       2.6
     100.0       5.5
     101.0       1.5
     115.0       2.1
     116.0       6.5
     117.0       1.1
     127.0       6.2
     128.0       1.4
     129.0       1.0
     144.0     100.0
     145.0      56.9
     146.0       5.2
     157.0       2.3
     158.0       4.0
     173.0       1.4
     186.0      52.7
     187.0      12.4
     188.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₀ N₂ O	0.033 g : 0.5 ml CDCl₃
4-propoxyphthalonitrile

    Assign.     Shift(ppm)

      A             7.724
      B             7.274
      C             7.208
      D             4.032
      E             1.866
      F             1.065

     Hz     ppm     Int.

   3090.21   7.733    369
   3081.54   7.711    380
   2908.69   7.279    310
   2906.13   7.272    371
   2885.99   7.222    228
   2883.42   7.215    181
   2877.20   7.200    204
   2874.63   7.193    173
   1617.92   4.049    310
   1611.45   4.033    632
   1604.98   4.016    321
    764.89   1.914     37
    757.45   1.896    129
    750.85   1.879    266
    743.41   1.861    268
    736.94   1.844    139
    736.21   1.843    107
    729.61   1.826     42
    432.98   1.084    514
    425.54   1.065   1000
    418.21   1.047    470

in CDCl3