7035-03-2

2-甲氧基苯乙腈(7035-03-2)质谱(MS)

产品名称:2-甲氧基苯乙腈

CAS:7035-03-2

分子式:C9H9NO

分子量: 147.17

InChI:InChI=1S/C9H9NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6H2,1H3

InChIKey: DWJKILXTMUGXOU-UHFFFAOYSA-N

Smiles:C1(CC#N)=CC=CC=C1OC

Mass

MS-NW-7690          
o-methoxyphenylacetonitrile
C9H9NO              (Mass of molecular ion:    147)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.9
      26.0       1.6
      27.0       4.3
      28.0       2.5
      29.0       1.0
      37.0       2.0
      38.0       4.7
      39.0      12.0
      40.0       1.1
      41.0       3.4
      43.0       1.0
      50.0       9.9
      51.0      19.8
      52.0       5.8
      53.0       1.4
      61.0       1.6
      62.0       4.1
      63.0      10.8
      64.0       4.5
      65.0       4.5
      74.0       2.2
      75.0       3.8
      76.0       8.7
      77.0      40.5
      78.0      12.2
      79.0       3.8
      88.0       2.4
      89.0      11.7
      90.0      10.3
      91.0      19.6
      92.0       5.9
     102.0       3.6
     103.0       3.7
     104.0      23.4
     105.0       4.5
     106.0       2.2
     107.0      55.1
     108.0       4.7
     114.0       1.5
     115.0       3.0
     116.0      18.5
     117.0       5.6
     118.0       9.6
     119.0      10.4
     120.0      17.1
     121.0       3.4
     132.0      54.4
     133.0       5.3
     146.0      11.9
     147.0     100.0
     148.0      10.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₉ N O	0.035 g : 0.5 ml CDCl₃
o-methoxyphenylacetonitrile

    Assign.     Shift(ppm)

      A             7.35
      B             7.30
      C             6.95
      D             6.89
      E             3.851
      F             3.668

     Hz     ppm     Int.

    662.88   7.402     73
    662.25   7.395     76
    660.81   7.379     45
    655.25   7.317    139
    653.69   7.299     81
    648.25   7.239     77
    646.38   7.218     42
    630.44   7.040     54
    629.19   7.026     73
    623.69   6.964     47
    622.19   6.948     90
    621.38   6.939     83
    620.44   6.928    109
    615.63   6.874     38
    614.38   6.860     41
    612.44   6.839     65
    610.75   6.820     39
    345.00   3.853   1000
    328.56   3.669    369

in CDCl3