1817-57-8

4-苯基-3-丁炔-2-酮(1817-57-8)质谱(MS)

产品名称:4-苯基-3-丁炔-2-酮

CAS:1817-57-8

分子式:C10H8O

分子量: 144.17

InChI:InChI=1S/C10H8O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,1H3

InChIKey: UPEUQDJSUFHFQP-UHFFFAOYSA-N

Smiles:CC(=O)C#CC1=CC=CC=C1

Mass

MS-IW-2408          
4-phenyl-3-butyn-2-one
C10H8O              (Mass of molecular ion:    144)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       1.8
      43.0       2.1
      50.0       3.1
      51.0       7.1
      52.0       1.1
      58.0       1.3
      61.0       1.2
      62.0       2.0
      63.0       3.1
      64.5       4.0
      74.0       5.4
      75.0      12.2
      76.0       2.6
      77.0       2.5
      89.0       1.0
      98.0       1.3
     101.0       5.9
     102.0       3.4
     115.0       4.0
     129.0     100.0
     130.0      10.2
     144.0      23.6
     145.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀H₈O	0.05 ml : 0.5 ml CDCl₃
4-phenyl-3-butyn-2-one

    Assign.     Shift(ppm)

     A           7.556
     B           7.435
     C           7.369
     D           2.434

     Hz     ppm     Int.

   3027.23   7.573     34
   3025.40   7.568    158
   3024.17   7.565    192
   3023.44   7.563     87
   3022.59   7.561     97
   3019.29   7.553     71
   3017.22   7.548    258
   3015.63   7.544    202
   2982.92   7.462     26
   2981.57   7.458     48
   2980.11   7.455     29
   2976.57   7.446     37
   2974.25   7.440    119
   2971.81   7.434     42
   2968.02   7.425     74
   2966.68   7.421    117
   2965.21   7.418     58
   2953.25   7.388     47
   2952.03   7.385    133
   2951.30   7.383    181
   2949.96   7.379     82
   2945.20   7.367    143
   2943.73   7.364    210
   2942.02   7.360     64
   2938.12   7.350     44
   2936.65   7.346    105
   2935.31   7.343     58
    975.47   2.440     62
    972.78   2.434   1000
    969.12   2.425     31

in CDCl3