22592-15-0

1-氯-2-戊炔(22592-15-0)核磁图(¹HNMR)

产品名称:1-氯-2-戊炔

CAS:22592-15-0

分子式:C5H7Cl

分子量: 102.56

InChI:InChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3

InChIKey: JBKXDMAPOZZDCE-UHFFFAOYSA-N

Smiles:C(Cl)C#CCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4191          
1-chloro-2-pentyne
C5H7Cl              (Mass of molecular ion:    102)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       2.3
      27.0       9.6
      29.0       1.8
      31.0       2.0
      36.0       2.0
      37.0       2.5
      38.0       5.1
      39.0      38.9
      40.0      10.3
      41.0      69.7
      42.0       3.4
      43.0       1.4
      49.0       2.7
      50.0       7.5
      51.0      28.7
      52.0       7.9
      53.0      13.1
      54.0       1.5
      57.0       1.0
      61.0       3.6
      62.0       5.2
      63.0       5.8
      64.0       1.5
      65.0      30.5
      66.0      17.5
      67.0     100.0
      68.0       8.9
      73.0       3.0
      75.0       3.8
      76.0       1.2
      77.0       1.2
      81.0       1.1
      87.0       7.5
      89.0       2.8
      91.0       1.5
     101.0       3.9
     102.0      90.1
     103.0       7.8
     104.0      29.3
     105.0       2.2

parameter in CDCl3

¹H NMR	300 MHz
C₅ H₇ Cl	0.05 ml : 0.5 ml CDCl₃
1-chloro-2-pentyne

    Parameter     ppm  Hz

      D(A)         4.147
      D(B)         2.249
      D(C)         1.147
       J(A,B)         -2.32
       J(A,C)          0.
       J(B,C)          7.57

     Hz     ppm     Int.

   1246.42   4.155    366
   1244.12   4.147    715
   1241.81   4.139    372
    688.50   2.295     39
    686.19   2.287     77
    683.86   2.280     43
    680.93   2.270    125
    678.60   2.262    240
    676.26   2.254    125
    673.36   2.245    134
    671.03   2.237    251
    668.73   2.229    129
    665.80   2.219     50
    663.49   2.212     88
    661.16   2.204     45
    351.59   1.172    508
    344.03   1.147   1000
    336.46   1.122    454

in CDCl3