6974-77-2

1-溴-3-氯-2-甲基丙烷(6974-77-2)核磁圖(¹³CNMR)

產(chǎn)品名稱:1-溴-3-氯-2-甲基丙烷

CAS:6974-77-2

分子式:C4H8BrCl

分子量: 171.46

InChI:InChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3

InChIKey: ZKDOQFPDSUOLGF-UHFFFAOYSA-N

Smiles:C(Br)C(C)CCl

Mass

MS-NW-0896          
1-bromo-3-chloro-2-methylpropane
C4H8BrCl            (Mass of molecular ion:    170)

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

      15.0       1.4
      26.0       2.7
      27.0      16.0
      28.0       2.5
      29.0      16.5
      36.0       1.2
      37.0       2.1
      38.0       4.6
      39.0      31.8
      40.0       3.4
      41.0      76.1
      42.0      12.8
      49.0       8.1
      50.0       2.1
      51.0       2.7
      53.0       7.8
      54.0       4.5
      55.0     100.0
      56.0       5.6
      62.0       1.8
      63.0       6.6
      65.0       1.9
      75.0       7.7
      76.0       1.3
      77.0       5.5
      79.0       1.1
      80.0       1.0
      81.0       1.0
      82.0       1.0
      89.0       1.1
      90.0       5.9
      91.0      87.7
      92.0       5.7
      93.0      28.3
      94.0       1.3
      95.0       3.6
     119.0       1.0
     121.0      18.0
     123.0      16.8
     170.0       7.1
     172.0       9.0
     174.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₈ Br Cl	0.04 ml : 0.5 ml CDCl₃
1-bromo-3-chloro-2-methylpropane

    Assign.     Shift(ppm)

      A     *1      3.63
      B     *1      3.56
      C     *2      3.51
      D     *2      3.47
      E             2.20
      F             1.135
     
     A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.
     J(A,B)=-11HZ, J(A,E)=5.5HZ, J(B,E)=5.8HZ, J(C,D)=-10.2HZ,
     J(C,E)=5.4HZ, J(D,E)=5.6HZ

     Hz     ppm     Int.

    324.75   3.627    413
    323.94   3.618    428
    319.25   3.565    417
    318.19   3.553    454
    315.63   3.525    408
    315.06   3.518    430
    313.00   3.495     32
    310.25   3.465    398
    309.50   3.456    442
    307.25   3.431     38
    206.13   2.302     46
    200.44   2.239     63
    199.44   2.227     54
    194.94   2.177     50
    193.81   2.165     65
    192.94   2.155     32
    188.19   2.102     45
    187.31   2.092     36
    104.69   1.169   1000
     98.00   1.095    800

in CDCl3