2203-80-7

5-甲基-1-已炔(2203-80-7)核磁圖(¹HNMR)

產(chǎn)品名稱:5-甲基-1-已炔

CAS:2203-80-7

分子式:C7H12

分子量: 96.17

InChI:InChI=1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3

InChIKey: HKNANEMUCJGPMS-UHFFFAOYSA-N

Smiles:C#CCCC(C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-4576          
5-methyl-1-hexyne
C7H12               (Mass of molecular ion:     96)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.4
      18.0       4.6
      26.0       2.1
      27.0      25.4
      28.0       1.4
      29.0      34.7
      37.0       1.6
      38.0       3.4
      39.0      32.5
      40.0       5.5
      41.0      74.8
      42.0       7.4
      43.0      26.1
      44.0       1.6
      50.0       4.4
      51.0       7.0
      52.0       4.6
      53.0      28.4
      54.0      14.0
      55.0      23.0
      56.0      51.0
      57.0      47.8
      58.0       2.3
      63.0       1.4
      65.0       4.5
      66.0       3.3
      67.0      12.5
      68.0      12.6
      69.0       1.3
      77.0       5.7
      78.0       1.0
      79.0      19.9
      80.0       2.3
      81.0     100.0
      82.0       6.9
      95.0       4.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₂	0.04 ml : 0.5 ml CDCl₃
5-methyl-1-hexyne

    Assign.     Shift(ppm)

      A             2.18
      B             1.912
      C             1.65
      D             1.42
      E             0.903
     
     J(A,B)=2.6HZ. J(C,E)=6.2HZ.

     Hz     ppm     Int.

    205.25   2.292     57
    204.69   2.286     48
    202.75   2.264     63
    201.88   2.255     53
    197.81   2.209    106
    197.13   2.202    104
    195.06   2.178    134
    193.44   2.160     30
    190.75   2.130     75
    189.94   2.121     61
    187.94   2.099    111
    173.63   1.939    175
    171.06   1.911    244
    168.31   1.880    122
    154.63   1.727     30
    154.13   1.721     30
    153.44   1.714     35
    147.38   1.646     36
    146.69   1.638     30
    140.75   1.572     30
    138.19   1.543     71
    137.00   1.530     78
    131.19   1.465    120
    130.00   1.452    155
    124.25   1.388     84
    122.94   1.373    104
    117.19   1.309     37
    115.56   1.291     31
     83.69   0.935   1000
     77.50   0.866    801

in CDCl3