51716-63-3

顺-二环[3.3.0]辛烷-3,7-二酮(51716-63-3)红外图谱(IR1)

产品名称:顺-二环[3.3.0]辛烷-3,7-二酮

CAS:51716-63-3

分子式:C8H10O2

分子量: 138.16

InChI:InChI=1S/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2/t5-,6+

InChIKey: HAFQHNGZPQYKFF-OLQVQODUSA-N

Smiles:C1[C@@]2([H])[C@]([H])(CC(=O)C2)CC1=O

Mass

MS-NW-6379          
cis-bicyclo(3.3.0)octane-3,7-dione
C8H10O2             (Mass of molecular ion:    138)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.0
      18.0       2.8
      26.0       1.8
      27.0       9.2
      28.0       4.8
      37.0       1.1
      38.0       3.2
      39.0      26.8
      40.0       8.1
      41.0     100.0
      42.0      12.7
      43.0       2.9
      44.0       1.0
      50.0       2.0
      51.0       2.8
      52.0       1.6
      53.0       8.5
      54.0       8.7
      55.0      10.0
      65.0       1.9
      66.0       1.6
      67.0      12.2
      68.0      66.3
      69.0      46.4
      70.0       4.6
      79.0       1.3
      81.0       9.1
      82.0       3.9
      95.0       8.3
      96.0       6.5
      97.0       5.4
     110.0       6.6
     138.0      66.8
     139.0       6.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₀ O₂	0.039 g : 0.5 ml CDCl₃
cis-bicyclo(3.3.0)octane-3,7-dione

    Assign.     Shift(ppm)

      A             3.061
      B             2.580
      C             2.162

     Hz     ppm     Int.

   1235.72   3.093    121
   1232.79   3.085    114
   1229.37   3.077    248
   1228.64   3.075    249
   1226.93   3.071    277
   1225.71   3.067    293
   1224.00   3.063    354
   1222.29   3.059    302
   1221.07   3.056    296
   1219.36   3.052    268
   1218.63   3.050    274
   1215.21   3.041    139
   1213.62   3.037    130
   1212.16   3.034    146
   1046.39   2.619    721
   1044.56   2.614    443
   1037.48   2.596    677
   1028.56   2.574    270
   1026.86   2.570    909
   1019.90   2.552    515
   1017.94   2.548    828
    875.49   2.191    972
    870.12   2.178   1000
    855.83   2.142    829
    850.59   2.129    738

in CDCl3