4079-52-1

2-甲氧基苯乙酮(4079-52-1)质谱(MS)

产品名称:2-甲氧基苯乙酮

CAS:4079-52-1

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey: YRNDGUSDBCARGC-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=CC=C1)COC

Mass

MS-IW-3456          
2-methoxyacetophenone
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.3
      29.0       2.1
      39.0       1.8
      45.0       9.8
      50.0       4.6
      51.0      13.4
      63.0       1.1
      65.0       1.9
      74.0       1.6
      75.0       1.1
      76.0       2.3
      77.0      54.9
      78.0       4.2
      91.0       3.5
     105.0     100.0
     106.0       8.5
     120.0      20.9
     121.0       2.0
     153.0       1.1
     154.0       3.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
2-methoxyacetophenone

    Assign.     Shift(ppm)

      A             7.912
      B             7.565
      C             7.449
      D             4.702
      E             3.493

     Hz     ppm     Int.

   3168.58   7.929     42
   3166.75   7.924    194
   3166.14   7.923    152
   3165.41   7.921    237
   3164.79   7.919    108
   3164.31   7.918     96
   3163.70   7.917     86
   3160.40   7.908     79
   3158.33   7.903    256
   3156.98   7.900    247
   3032.71   7.589     47
   3031.37   7.586     90
   3030.03   7.582     48
   3025.88   7.572     59
   3024.66   7.569     92
   3023.93   7.567    143
   3022.09   7.562     64
   3017.82   7.552     76
   3016.48   7.548    124
   3015.26   7.545     70
   2986.21   7.473     52
   2984.99   7.470    153
   2984.50   7.468    182
   2983.89   7.467    111
   2982.91   7.464     96
   2977.66   7.451    135
   2976.93   7.449    201
   2976.56   7.448    231
   2976.07   7.447    178
   2975.22   7.445     89
   2973.63   7.441     35
   2970.95   7.434     64
   2969.73   7.431     76
   2969.24   7.430    144
   2968.51   7.428    106
   2967.65   7.426     47
   2966.31   7.423     36
   1879.15   4.702    712
   1396.12   3.494   1000

in CDCl3