19924-43-7

3-甲氧基苯乙腈(19924-43-7)質(zhì)譜(MS)

產(chǎn)品名稱:3-甲氧基苯乙腈

CAS:19924-43-7

分子式:C9H9NO

分子量: 147.17

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

InChIKey: LXKNAUOWEJWGTE-UHFFFAOYSA-N

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

Mass

MS-IW-1303          
(m-methoxyphenyl)acetonitrile
C9H9NO              (Mass of molecular ion:    147)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.2
      28.0       1.0
      38.0       2.2
      39.0       4.8
      50.0       4.4
      51.0       8.0
      52.0       2.1
      62.0       2.2
      63.0       6.8
      64.0       3.9
      65.0       1.9
      74.0       1.2
      75.0       2.0
      76.0       4.6
      77.0      28.4
      78.0       6.5
      79.0       3.2
      88.0       1.1
      89.0       8.2
      90.0      13.0
      91.0       9.6
      92.0       3.7
     102.0       2.3
     103.0       1.9
     104.0      12.4
     105.0       2.3
     107.0      14.0
     108.0       1.1
     116.0      17.5
     117.0      18.8
     118.0       4.1
     119.0       3.4
     120.0       3.6
     121.0       2.4
     132.0      19.0
     133.0       1.8
     146.0      13.6
     147.0     100.0
     148.0      10.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ N O	0.05 ml : 0.5 ml CDCl₃
(m-methoxyphenyl)acetonitrile

    Assign.     Shift(ppm)

      A             7.248
      B     *1      6.86
      C     *1      6.83
      D             6.82
      E             3.763
      F             3.654

     Hz     ppm     Int.

   2905.52   7.271     98
   2902.83   7.264     34
   2899.29   7.255     58
   2897.83   7.251    112
   2896.12   7.247    153
   2891.11   7.235     60
   2889.04   7.229    109
   2748.41   6.878     92
   2747.44   6.875    130
   2746.70   6.873    133
   2745.85   6.871    108
   2740.84   6.859     81
   2739.75   6.856    113
   2739.26   6.855    119
   2738.16   6.852    100
   2737.55   6.850     62
   2735.84   6.846     72
   2733.76   6.841    127
   2733.28   6.840    125
   2729.61   6.831    119
   2727.05   6.824    276
   2726.07   6.822    257
   1504.15   3.764   1000
   1460.82   3.656    529

in CDCl3