106943-83-3

4-正戊氧基鄰苯二甲腈(106943-83-3)質(zhì)譜(MS)

產(chǎn)品名稱:4-正戊氧基鄰苯二甲腈

CAS:106943-83-3

分子式:C13H14N2O

分子量: 214.26

InChI:InChI=1S/C13H14N2O/c1-2-3-4-7-16-13-6-5-11(9-14)12(8-13)10-15/h5-6,8H,2-4,7H2,1H3

InChIKey: LEYRHJFOAFEIDH-UHFFFAOYSA-N

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

Mass

MS-NW-9717          
4-(pentyloxy)phthalonitrile
C13H14N2O           (Mass of molecular ion:    214)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.1
      27.0      11.8
      28.0       2.4
      29.0      18.8
      39.0       6.9
      40.0       1.4
      41.0      25.9
      42.0      13.4
      43.0     100.0
      44.0       4.6
      53.0       1.2
      55.0      17.2
      62.0       1.1
      63.0       1.3
      64.0       1.9
      69.0       1.9
      70.0      41.7
      71.0      44.8
      72.0       2.4
      75.0       1.1
      76.0       1.6
      88.0       1.1
      89.0       1.5
     100.0       4.1
     101.0       1.0
     115.0       1.3
     116.0       3.4
     127.0       6.7
     128.0       1.0
     129.0       1.5
     144.0      13.9
     145.0      22.6
     146.0       2.1
     157.0       2.9
     214.0      30.0
     215.0      11.0
     216.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₄ N₂ O	0.036 g : 0.5 ml CDCl₃
4-(pentyloxy)phthalonitrile

    Assign.     Shift(ppm)

      A             7.716
      B             7.268
      C             7.199
      D             4.059
      E             1.836
      F             1.44
      G             1.40
      J             0.944

     Hz     ppm     Int.

   3088.26   7.728    482
   3079.59   7.706    535
   2906.01   7.272    426
   2903.44   7.265    503
   2882.57   7.213    312
   2879.88   7.207    250
   2873.78   7.191    282
   2871.22   7.185    236
   1629.03   4.077    380
   1622.56   4.060    782
   1615.97   4.044    394
    748.41   1.873     58
    741.82   1.857    184
    735.23   1.840    225
    733.52   1.836    198
    726.93   1.819    215
    720.46   1.803     85
    596.31   1.493     34
    594.60   1.488     37
    588.75   1.474     98
    585.45   1.465    116
    581.30   1.455    146
    579.96   1.452    147
    578.49   1.448    114
    577.03   1.444    131
    575.07   1.439    144
    573.36   1.435    216
    570.56   1.428    199
    567.87   1.421    233
    563.48   1.410    102
    560.91   1.404    192
    554.57   1.388    135
    553.34   1.385    144
    549.07   1.374     42
    547.36   1.370     66
    546.51   1.368     63
    545.29   1.365     69
    384.03   0.961    544
    376.83   0.943   1000
    369.75   0.926    376

in CDCl3