96-09-3

氧化苯乙烯(96-09-3)紅外圖譜(IR1)

產(chǎn)品名稱:氧化苯乙烯

CAS:96-09-3

分子式:C8H8O

分子量: 120.15

InChI:InChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2

InChIKey: AWMVMTVKBNGEAK-UHFFFAOYSA-N

Smiles:O1CC1C1=CC=CC=C1

Mass

MS-NW-0437          
(1,2-epoxyethyl)benzene
C8H8O               (Mass of molecular ion:    120)

   Source Temperature: 240 °C
   Sample Temperature: 120 °C
   Reservoir, 75 eV

      27.0       1.3
      29.0       1.3
      37.0       1.0
      38.0       2.6
      39.0      10.7
      40.0       1.3
      41.0       1.9
      43.0       1.6
      50.0       4.8
      51.0       8.8
      52.0       1.7
      61.0       1.3
      62.0       3.4
      63.0       9.7
      64.0       3.9
      65.0      15.0
      66.0       1.0
      74.0       1.6
      75.0       1.0
      77.0       4.0
      78.0       1.3
      89.0      26.8
      90.0      34.7
      91.0     100.0
      92.0      29.8
      93.0       2.0
     104.0       1.5
     105.0       1.7
     119.0      21.2
     120.0      35.9
     121.0       3.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ O	0.05 ml : 0.5 ml CDCl₃
(1,2-epoxyethyl)benzene

    Assign.     Shift(ppm)

      A             7.28
      B             3.817
      C             3.091
      D             2.758
     
     J(B,C)=4.1HZ
     J(B,D)=2.6HZ
     J(C,D)=5.5HZ

     Hz     ppm     Int.

    661.06   7.382     29
    659.63   7.366     36
    654.50   7.308    251
    652.38   7.285   1000
    648.25   7.239    109
    645.75   7.211     60
    645.00   7.202     78
    643.13   7.181     53
    345.31   3.856     99
    342.75   3.828    115
    341.25   3.811    117
    338.69   3.782    109
    282.06   3.150    103
    277.94   3.104    107
    276.50   3.088    147
    272.44   3.042    127
    250.56   2.798    149
    248.00   2.770    143
    245.06   2.737    108
    242.50   2.708     98

in CDCl3