287-08-1

环十五(碳)烯氧化物(287-08-1)核磁图(¹HNMR)

产品名称:环十五(碳)烯氧化物

CAS:287-08-1

分子式:C15H28O

分子量: 224.38

InChI:InChI=1S/C15H28O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h14-15H,1-13H2

InChIKey: DAJSMXMRMNHEBW-UHFFFAOYSA-N

Smiles:C12C(O1)CCCCCCCCCCCCC2

Mass

MS-KW-0170          
16-oxabicyclo(13.1.0)hexadecane
C15H28O             (Mass of molecular ion:    224)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      27.0      13.7
      28.0       3.7
      29.0      27.6
      31.0       2.0
      39.0      13.8
      40.0       2.7
      41.0      73.7
      42.0      13.4
      43.0      34.2
      44.0       6.1
      45.0       3.1
      53.0       7.8
      54.0      20.7
      55.0      93.8
      56.0      18.6
      57.0      38.9
      58.0       7.7
      59.0       3.1
      65.0       2.1
      66.0       8.5
      67.0      60.8
      68.0      46.8
      69.0      54.6
      70.0      19.6
      71.0      19.7
      72.0       3.4
      77.0       2.7
      78.0       1.8
      79.0      14.1
      80.0      35.3
      81.0      54.2
      82.0     100.0
      83.0      55.3
      84.0      14.2
      85.0       8.5
      86.0       1.4
      91.0       1.7
      93.0      13.8
      94.0      19.1
      95.0      41.7
      96.0      55.2
      97.0      36.7
      98.0      16.0
      99.0       3.2
     107.0       7.8
     108.0       8.2
     109.0      18.8
     110.0      16.2
     111.0      16.4
     112.0       5.1
     113.0       1.2
     121.0      14.9
     122.0       7.5
     123.0      10.5
     124.0      11.7
     125.0       6.8
     126.0       1.5
     135.0      11.6
     136.0       5.6
     137.0       6.8
     138.0       5.1
     139.0       2.1
     149.0       7.1
     150.0       3.0
     151.0       1.9
     152.0       1.7
     163.0       2.6
     164.0       1.5
     165.0       1.0
     166.0       1.3
     167.0       1.2
     177.0       1.3
     178.0       1.3
     180.0       1.4
     181.0       1.2
     196.0       1.3
     206.0       8.4
     207.0       2.2
     208.0       1.0
     224.0       6.8
     225.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₈ O	0.036 g : 0.5 ml CDCl₃
16-oxabicyclo(13.1.0)hexadecane

    Assign.     Shift(ppm)

      A             2.674
      B             2.019
      C             1.46
      D             1.36
      E             1.32
      F             1.134

     Hz     ppm     Int.

   1076.42   2.694    144
   1074.46   2.689    361
   1071.78   2.682    295
   1070.80   2.680    211
   1066.89   2.670    213
   1065.92   2.668    301
   1063.23   2.661    374
   1061.28   2.656    136
    822.14   2.058     70
    819.09   2.050     88
    816.16   2.043    157
    813.11   2.035    156
    809.57   2.026    134
    806.64   2.019    137
    802.49   2.008    186
    799.56   2.001    171
    796.26   1.993    108
    793.21   1.985     93
    578.61   1.448    479
    526.86   1.319   1000
    470.70   1.178     85
    464.36   1.162    152
    462.16   1.157    105
    457.15   1.144    173
    455.81   1.141    172
    450.81   1.129    161
    449.10   1.124    159
    444.09   1.112    108
    442.14   1.107    136
    435.42   1.090     78

in CDCl3

KBr disk

Nujol

环十五(碳)烯氧化物(287-08-1)核磁图(1HNMR)

环十五(碳)烯氧化物(287-08-1)核磁图(¹HNMR)