109-69-3

1-氯丁烷(109-69-3)红外图谱(IR1)

产品名称:1-氯丁烷

CAS:109-69-3

分子式:C4H9Cl

分子量: 92.57

InChI:InChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

InChIKey: VFWCMGCRMGJXDK-UHFFFAOYSA-N

Smiles:C(Cl)CCC

Mass

MS-NW-0936          
1-chlorobutane
C4H9Cl              (Mass of molecular ion:     92)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.4
      26.0       3.7
      27.0      26.3
      28.0      15.0
      29.0      16.7
      38.0       1.4
      39.0      10.0
      40.0       2.2
      41.0      57.5
      42.0       5.0
      43.0      36.6
      44.0       1.1
      49.0       2.8
      50.0       1.2
      51.0       1.1
      53.0       1.2
      55.0       7.5
      56.0     100.0
      57.0       5.8
      62.0       1.3
      63.0       4.8
      65.0       1.4

parameter neat

¹H NMR	300 MHz
C₄ H₉ Cl	neat
1-chlorobutane

    Parameter     ppm  Hz

      D(A)         0.916
      D(B)         1.413
      D(C)         1.683
      D(D)         3.420
       J(A,B)          7.36
       J(A,B')         7.36
       J(A,C)         -0.18
       J(A,C')        -0.18
       J(A,D)          0.0
       J(B,B')       -12.47
       J(B,C)          5.81
       J(B,C')         8.83
       J(B,D)         -0.22
       J(B',C)         8.83
       J(B',C')        5.81
       J(B',D)        -0.22
       J(C,C')       -12.53
       J(C,D)          6.71
       J(C',D)         6.71
     
     AKSNES,D.W. & STOGARD,J. ACTA CHEM.SCAND. 26, 2552 (1972)

     Hz     ppm     Int.

   1032.73   3.442    351
   1026.06   3.420    713
   1019.37   3.398    365
    519.32   1.731     59
    512.23   1.707    190
    510.08   1.700     57
    505.47   1.685    233
    503.41   1.678    111
    498.17   1.661    190
    491.38   1.638     83
    442.05   1.473     50
    436.63   1.455     30
    434.79   1.449    140
    429.14   1.430     74
    427.06   1.424    206
    421.79   1.406     81
    419.69   1.399    218
    414.59   1.382     38
    412.65   1.375    134
    405.57   1.352     46
    281.92   0.940    494
    274.62   0.915   1000
    267.34   0.891    394

in CDCl3