51575-83-8

1-氯-2-辛炔(51575-83-8)核磁图(¹HNMR)

产品名称:1-氯-2-辛炔

CAS:51575-83-8

分子式:C8H13Cl

分子量: 144.64

InChI:InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3

InChIKey: OUMUOQQKEAGFCJ-UHFFFAOYSA-N

Smiles:C(Cl)C#CCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9310          
1-chloro-2-octyne
C8H13Cl             (Mass of molecular ion:    144)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       3.2
      27.0      30.2
      28.0       5.9
      29.0      68.7
      30.0       1.6
      36.0       5.7
      37.0       1.0
      38.0       4.3
      39.0      33.3
      40.0       7.1
      41.0      84.4
      42.0      13.4
      43.0      19.2
      44.0       1.0
      49.0       1.5
      50.0       7.0
      51.0      27.7
      52.0      33.0
      53.0      35.8
      54.0      24.3
      55.0      65.4
      56.0      21.0
      57.0      26.2
      58.0       1.1
      61.0       1.8
      62.0       1.9
      63.0       4.5
      64.0       1.3
      65.0      19.8
      66.0       9.9
      67.0     100.0
      68.0      15.8
      69.0       4.1
      70.0       7.0
      73.0       1.8
      75.0       4.6
      77.0      19.1
      78.0       3.2
      79.0      29.6
      80.0       6.9
      81.0      32.7
      82.0       4.7
      86.0       1.3
      87.0       3.6
      88.0      18.4
      89.0       4.3
      90.0       6.1
      91.0       8.4
      92.0       1.2
      93.0      19.8
      94.0       2.6
      95.0      85.7
      96.0       7.0
     101.0       1.9
     102.0      13.7
     103.0       3.3
     104.0       4.8
     105.0       1.5
     107.0       2.8
     108.0       2.3
     109.0      34.5
     110.0       3.2
     115.0       5.7
     116.0       2.9
     117.0       2.2
     118.0       1.0
     129.0       4.7
     131.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₃ Cl	0.05 ml : 0.5 ml CDCl₃
1-chloro-2-octyne

    Assign.     Shift(ppm)

      A             4.147
      B             2.226
      C             1.513
      D             1.34
      E             0.904

     Hz     ppm     Int.

   1659.79   4.154    574
   1657.47   4.148   1000
   1655.15   4.142    543
    899.41   2.251    135
    897.09   2.245    243
    894.78   2.239    144
    892.33   2.233    273
    890.01   2.227    480
    887.70   2.222    264
    885.13   2.215    156
    882.81   2.209    265
    880.49   2.204    144
    613.65   1.536    164
    606.57   1.518    261
    601.32   1.505    115
    599.37   1.500    235
    552.00   1.382    120
    548.95   1.374    150
    545.65   1.366    188
    543.58   1.361    200
    540.89   1.354    314
    536.38   1.343    330
    533.69   1.336    355
    531.01   1.329    275
    529.42   1.325    232
    526.61   1.318    105
    524.05   1.312    169
    368.04   0.921    510
    366.09   0.917    159
    360.96   0.904    929
    358.89   0.899    235
    355.96   0.891    152
    353.76   0.886    365

in CDCl3