594-36-5

2-氯代-2-甲基丁烷(594-36-5)質(zhì)譜(MS)

產(chǎn)品名稱:2-氯代-2-甲基丁烷

CAS:594-36-5

分子式:C5H11Cl

分子量: 106.59

InChI:InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3

InChIKey: CRNIHJHMEQZAAS-UHFFFAOYSA-N

Smiles:CC(Cl)(C)CC

Mass

MS-NW-4936          
2-chloro-2-methylbutane
C5H11Cl             (Mass of molecular ion:    106)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.9
      18.0       1.2
      26.0       3.5
      27.0      27.8
      28.0       2.6
      29.0      32.4
      35.0       1.0
      36.0       7.9
      37.0       1.4
      38.0       2.8
      39.0      28.2
      40.0       4.2
      41.0      84.9
      42.0      18.1
      43.0      84.4
      44.0       3.3
      49.0       2.3
      50.0       1.9
      51.0       2.7
      52.0       1.0
      53.0       7.5
      54.0       1.8
      55.0      89.5
      56.0       5.7
      61.0       1.0
      63.0       7.1
      65.0       2.4
      67.0       1.0
      69.0       3.0
      70.0      20.5
      71.0      95.2
      72.0       5.4
      76.0      60.2
      77.0     100.0
      78.0      22.9
      79.0      33.8
      80.0       1.2
      90.0       1.6
      91.0      18.5
      92.0       1.3
      93.0       5.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ Cl	0.04 ml : 0.5 ml CDCl₃
2-chloro-2-methylbutane

    Assign.     Shift(ppm)

      A             1.764
      B             1.556
      C             1.036

     Hz     ppm     Int.

    163.25   1.823     53
    157.13   1.755     32
    155.88   1.741     77
    149.50   1.670     29
    148.50   1.659     29
    141.31   1.578     24
    139.44   1.557   1000
    137.44   1.535     52
    100.06   1.118     51
     99.38   1.110     95
     98.69   1.102     59
     92.44   1.033    245
     91.75   1.025    101
     85.56   0.956     37
     84.75   0.947     61
     83.81   0.936     34

in CDCl3