6975-99-1

6-十二炔(6975-99-1)核磁图(¹HNMR)

产品名称:6-十二炔

CAS:6975-99-1

分子式:C12H22

分子量: 166.3

InChI:InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3

InChIKey: IHPFQAOOSAGSPN-UHFFFAOYSA-N

Smiles:CCCCCC#CCCCCC

Mass

MS-NW-2200          
6-dodecyne
C12H22              (Mass of molecular ion:    166)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       2.3
      27.0      18.5
      28.0       1.5
      29.0      30.6
      39.0      16.1
      40.0       3.3
      41.0      49.7
      42.0       5.7
      43.0      14.1
      50.0       1.2
      51.0       4.3
      52.0       6.3
      53.0      14.6
      54.0      87.8
      55.0      53.6
      56.0       8.1
      57.0       9.6
      63.0       1.3
      65.0       5.9
      66.0       4.0
      67.0     100.0
      68.0      34.1
      69.0      30.8
      70.0       3.1
      77.0       6.2
      78.0       1.4
      79.0      10.6
      80.0       4.9
      81.0      84.4
      82.0      42.0
      83.0       7.8
      91.0       2.8
      93.0       3.8
      94.0       2.7
      95.0      77.9
      96.0      21.0
      97.0       3.0
     107.0       1.1
     109.0      23.6
     110.0      10.3
     111.0       1.7
     123.0       5.4
     124.0       2.1
     137.0       6.3
     138.0       1.3
     151.0       1.2
     166.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₂₂	0.04 ml : 0.5 ml CDCl₃
6-dodecyne

    Assign.     Shift(ppm)

      A             2.13
      B          1.74 to 1.06
      C             0.90

     Hz     ppm     Int.

    201.44   2.250     37
    196.13   2.190    138
    195.56   2.184    135
    191.44   2.138    457
    186.44   2.082    169
    186.06   2.078    169
    185.00   2.066    193
    182.69   2.040     76
    148.13   1.654     30
    147.50   1.647     33
    147.19   1.644     37
    145.88   1.629     46
    145.31   1.623     44
    144.88   1.618     47
    144.44   1.613     44
    141.81   1.584     75
    141.31   1.578     78
    139.63   1.560    121
    138.50   1.547    117
    137.00   1.530    124
    136.63   1.526    124
    132.69   1.482    259
    130.75   1.460    226
    128.31   1.433    376
    123.88   1.384    809
    121.81   1.361    612
    119.38   1.333    383
    118.25   1.321    337
    114.81   1.282    261
    110.06   1.229    128
    106.88   1.194     72
    106.50   1.190     71
    104.75   1.170     42
    104.19   1.164     41
    103.88   1.160     37
    103.44   1.155     35
    102.88   1.149     36
    102.31   1.143     40
    101.94   1.139     37
    101.25   1.131     35
    100.50   1.123     30
    100.00   1.117     32
     99.38   1.110     31
     98.81   1.104     33
     98.00   1.095     30
     96.25   1.075     31
     94.44   1.055     32
     93.06   1.040     35
     92.63   1.035     39
     92.19   1.030     37
     91.63   1.024     42
     87.63   0.979    249
     86.81   0.970    293
     84.06   0.939    225
     82.94   0.927    241
     80.44   0.899   1000
     76.13   0.851    152
     74.50   0.832    192
     73.25   0.818    125
     71.00   0.793     71
     70.44   0.787     65

in CDCl3