2,4,4-三甲基-1-戊烯(107-39-1)核磁圖(¹HNMR)

產(chǎn)品名稱:2,4,4-三甲基-1-戊烯

CAS:107-39-1

分子式:C8H16

分子量: 112.21

InChI:InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

InChIKey: FXNDIJDIPNCZQJ-UHFFFAOYSA-N

Smiles:C=C(C)CC(C)(C)C

Mass

MS-KW-0247          
2,4,4-trimethyl-1-pentene
C8H16               (Mass of molecular ion:    112)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       5.6
      28.0       1.8
      29.0      17.2
      39.0       8.3
      40.0       1.3
      41.0      33.6
      42.0       1.4
      43.0       2.2
      53.0       2.4
      55.0      23.6
      56.0      17.7
      57.0     100.0
      58.0       4.4
      69.0       5.4
      97.0       9.9
     112.0       9.5

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₈H₁₆	0.05 ml : 0.5 ml CDCl₃
2,4,4-trimethyl-1-pentene

    Assign.     Shift(ppm)

     A           4.832
     B           4.625
     C           1.935
     D           1.774
     E           0.926

     Hz     ppm     Int.

   1934.82   4.840     41
   1933.35   4.837     95
   1931.89   4.833    106
   1930.79   4.830    108
   1929.33   4.826     94
   1927.86   4.823     37
   1851.32   4.631     64
   1850.47   4.629    104
   1849.61   4.627    112
   1848.76   4.625    102
   1847.91   4.623    105
   1847.05   4.621     94
   1846.20   4.618     55
    773.81   1.936    316
    772.95   1.934    299
    710.09   1.777    352
    709.11   1.774    356
    708.50   1.773    348
    707.65   1.771    324
    370.00   0.926   1000

¹H NMR	89.56 MHz
C₈ H₁₆	0.04 ml : 0.5 ml CDCl₃
2,4,4-trimethyl-1-pentene

    Assign.     Shift(ppm)

      A             4.83
      B             4.63
      C             1.94
      D             1.78
      E             0.926

     Hz     ppm     Int.

    434.69   4.854     22
    433.31   4.839     27
    432.06   4.825     33
    430.63   4.809     28
    415.81   4.643     30
    415.00   4.634     31
    414.13   4.625     27
    413.25   4.615     26
    412.38   4.605     22
    173.75   1.941    120
    160.00   1.787    115
    159.13   1.777    137
    158.56   1.771    126
    157.75   1.762    107
     82.94   0.927   1000

in CDCl3