7154-75-8

4-甲基-1-戊炔(7154-75-8)質(zhì)譜(MS)

產(chǎn)品名稱:4-甲基-1-戊炔

CAS:7154-75-8

分子式:C6H10

分子量: 82.14

InChI:InChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3

InChIKey: OXRWICUICBZVAE-UHFFFAOYSA-N

Smiles:C#CCC(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4924          
4-methyl-1-pentyne
C6H10               (Mass of molecular ion:     82)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.3
      18.0       1.9
      26.0       1.7
      27.0      33.9
      28.0       1.9
      29.0       2.4
      37.0       2.3
      38.0       5.2
      39.0      33.4
      40.0      20.1
      41.0      74.6
      42.0      14.6
      43.0      79.0
      44.0       2.7
      50.0       2.1
      51.0       3.2
      52.0       1.3
      53.0       6.2
      54.0      12.4
      55.0       2.3
      56.0       1.6
      62.0       1.0
      63.0       1.8
      65.0       7.4
      66.0       2.5
      67.0     100.0
      68.0       6.0
      77.0       1.1
      79.0       2.1
      81.0       9.7
      82.0       2.9

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀	0.04 ml : 0.5 ml CDCl₃
4-methyl-1-pentyne

    Assign.     Shift(ppm)

      A             2.080
      B             1.959
      C             1.825
      D             0.990

     Hz     ppm     Int.

    836.18   2.093    285
    833.62   2.086    261
    829.71   2.077    268
    827.03   2.070    353
    785.77   1.967    214
    783.08   1.960    337
    780.40   1.953    181
    742.92   1.859     45
    736.33   1.843     84
    729.74   1.826    107
    723.14   1.810     89
    716.43   1.793     49
    401.49   1.005     44
    398.93   0.999   1000
    396.48   0.993     45
    394.90   0.989     24
    392.21   0.982    980
    388.06   0.971     31

¹H NMR	89.56 MHz
C₆ H₁₀	0.04 ml : 0.5 ml CDCl₃
4-methyl-1-pentyne

    Assign.     Shift(ppm)

      A             2.07
      B             1.95
      C             1.82
      D             0.991
     
     400MHZ : HSP-41-065

     Hz     ppm     Int.

    190.63   2.129    113
    189.00   2.111     74
    187.69   2.096    143
    185.25   2.069    128
    184.25   2.058    144
    182.19   2.035    306
    179.31   2.003     34
    177.00   1.977    261
    174.75   1.952    242
    174.13   1.945    147
    171.94   1.920    122
    170.31   1.902     51
    169.19   1.890     49
    163.81   1.830     47
    162.63   1.816     52
    156.94   1.753     48
     94.50   1.056     64
     91.63   1.024   1000
     88.56   0.989    116
     85.25   0.952    776

in CDCl3