78-86-4

氯代仲丁烷(78-86-4)核磁圖(¹HNMR)

產(chǎn)品名稱:氯代仲丁烷

CAS:78-86-4

分子式:C4H9Cl

分子量: 92.57

InChI:InChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3

InChIKey: BSPCSKHALVHRSR-UHFFFAOYSA-N

Smiles:CC(Cl)CC

Mass

MS-NW-0940          
2-chlorobutane
C4H9Cl              (Mass of molecular ion:     92)

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

      15.0       1.4
      18.0       1.3
      26.0       5.4
      27.0      37.1
      28.0      12.6
      29.0      39.3
      30.0       1.0
      36.0       2.4
      37.0       1.4
      38.0       2.3
      39.0      17.3
      40.0       2.6
      41.0      64.1
      42.0       3.6
      43.0       1.7
      49.0       2.8
      50.0       2.5
      51.0       2.2
      53.0       2.4
      55.0       9.3
      56.0      92.6
      57.0     100.0
      58.0       4.5
      61.0       1.1
      62.0      13.2
      63.0      44.1
      64.0       5.1
      65.0      13.9
      76.0       1.0
      77.0       5.5
      79.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₉ Cl	0.04 ml : 0.5 ml CDCl₃
2-chlorobutane

    Assign.     Shift(ppm)

      A             3.972
      B             1.71
      C             1.502
      D             1.024

     Hz     ppm     Int.

    365.88   4.086     55
    359.44   4.014     96
    353.31   3.945    106
    346.75   3.872     64
    171.44   1.915     35
    170.25   1.901     33
    165.44   1.848     43
    164.69   1.839     52
    163.38   1.825    136
    158.88   1.775     47
    157.38   1.758    149
    156.06   1.743    196
    151.44   1.691     56
    149.63   1.671    182
    148.63   1.660     73
    145.38   1.624     40
    142.81   1.595     92
    137.69   1.538   1000
    135.50   1.513     49
    131.19   1.465    938
    129.13   1.442     45
     98.06   1.095    289
     91.13   1.018    510
     83.56   0.934    182
     82.63   0.923    106

in CDCl3