592-42-7

1,5-己二烯(592-42-7)質(zhì)譜(MS)

產(chǎn)品名稱:1,5-己二烯

CAS:592-42-7

分子式:C6H10

分子量: 82.14

InChI:InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2

InChIKey: PYGSKMBEVAICCR-UHFFFAOYSA-N

Smiles:C=CCCC=C

Mass

MS-NW-1213          
1,5-hexadiene
C6H10               (Mass of molecular ion:     82)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.7
      18.0       1.0
      26.0       2.9
      27.0      17.7
      28.0       3.4
      29.0       5.1
      37.0       1.5
      38.0       3.8
      39.0      52.0
      40.0       5.6
      41.0      99.9
      42.0       5.8
      50.0       3.4
      51.0       4.6
      52.0       2.3
      53.0       9.5
      54.0      58.8
      55.0       5.7
      65.0       3.4
      66.0       1.7
      67.0     100.0
      68.0       5.6
      77.0       2.1
      79.0       3.2
      81.0       7.9
      82.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀	0.04 ml : 0.5 ml CDCl₃
1,5-hexadiene

    Assign.     Shift(ppm)

      A             5.809
      B             4.99
      C             4.95
      D             2.151

     Hz     ppm     Int.

    542.38   6.057     69
    540.25   6.033     40
    538.81   6.017     40
    536.13   5.987    214
    535.19   5.976     52
    534.19   5.965     63
    532.31   5.944    100
    530.00   5.918    114
    528.63   5.903     78
    527.50   5.890     68
    526.25   5.876    254
    525.25   5.865    155
    524.00   5.851    112
    522.81   5.838    109
    521.38   5.822     95
    520.19   5.809    139
    518.94   5.795    338
    517.75   5.782     84
    516.69   5.770    103
    515.19   5.753    184
    512.75   5.726    164
    511.38   5.710    120
    510.38   5.699     79
    509.00   5.684    421
    506.69   5.658     82
    505.13   5.641     79
    502.94   5.616    142
    502.13   5.607     40
    459.00   5.126    411
    458.19   5.117    433
    457.50   5.109    452
    456.75   5.100    810
    455.31   5.084    295
    453.25   5.061     45
    450.44   5.030    801
    449.31   5.017    426
    448.19   5.005    444
    445.00   4.969     35
    444.63   4.965     35
    443.19   4.949     94
    441.75   4.933    364
    440.50   4.919    921
    439.56   4.908    971
    438.25   4.894    485
    198.50   2.217     91
    196.44   2.194    715
    195.81   2.187    966
    194.50   2.172    533
    192.56   2.151    796
    190.94   2.132    524
    190.25   2.125    908
    189.69   2.119   1000
    189.00   2.111    749
    186.94   2.088    141

in CDCl3