594-57-0

2-氯-2,3-二甲基丁烷(594-57-0)核磁图(¹³CNMR)

产品名称:2-氯-2,3-二甲基丁烷

CAS:594-57-0

分子式:C6H13Cl

分子量: 120.62

InChI:InChI=1S/C6H13Cl/c1-5(2)6(3,4)7/h5H,1-4H3

InChIKey: HEMQRALQJLCVBR-UHFFFAOYSA-N

Smiles:CC(Cl)(C)C(C)C

¹HNMR

¹³CNMR

Mass

MS-IW-5277          
2-chloro-2,3-dimethylbutane
C6H13Cl             (Mass of molecular ion:    120)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.4
      26.0       1.0
      27.0      17.5
      28.0       1.2
      29.0       6.5
      36.0       2.4
      38.0       2.0
      39.0      19.1
      40.0       3.9
      41.0      79.1
      42.0      32.9
      43.0     100.0
      44.0       3.4
      47.0       1.5
      49.0       2.1
      50.0       1.2
      51.0       2.5
      53.0       5.7
      55.0       7.0
      56.0       2.6
      57.0       7.5
      59.0       1.6
      63.0       3.4
      65.0       1.4
      67.0       2.1
      69.0      36.3
      70.0       2.7
      76.0      73.7
      77.0      68.9
      78.0      25.9
      79.0      22.3
      83.0       1.0
      84.0       7.0
      85.0      26.8
      86.0       4.4
     105.0       4.9
     107.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₃ Cl	0.055 g : 0.5 ml CDCl₃
2-chloro-2,3-dimethylbutane

    Assign.     Shift(ppm)

      A             1.894
      B             1.545
      C             1.023

     Hz     ppm     Int.

    764.16   1.913     45
    757.32   1.895     61
    750.61   1.879     50
    743.90   1.862     22
    617.68   1.546   1000
    412.35   1.032    591
    410.16   1.027     41
    407.96   1.021     26
    407.47   1.020     28
    405.64   1.015    610

in CDCl3