1,2-二溴-3-氯丙烷(96-12-8)質(zhì)譜(MS)

產(chǎn)品名稱:1,2-二溴-3-氯丙烷

CAS:96-12-8

分子式:C3H5Br2Cl

分子量: 236.33

InChI:InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2

InChIKey: WBEJYOJJBDISQU-UHFFFAOYSA-N

Smiles:C(Br)C(Br)CCl

Mass

MS2015-05120CW      
1,2-dibromo-3-chloropropane
C3H5Br2Cl           (Mass of molecular ion:    234)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      26.0       1.7
      27.0       3.7
      37.0       2.4
      38.0       4.5
      39.0      18.9
      40.0       2.4
      41.0      13.0
      49.0       8.9
      51.0       2.9
      61.0       1.5
      73.0       1.0
      75.0      47.1
      76.0       4.0
      77.0      15.3
      78.0       1.3
      79.0       1.2
      81.0       1.2
      93.0       7.2
      95.0       6.9
     105.0       5.1
     106.0       1.4
     107.0       5.1
     108.0       1.1
     119.0       7.3
     120.0       1.0
     121.0       7.0
     122.0       1.0
     127.0       1.3
     129.0       1.7
     141.0       1.0
     143.0       1.2
     155.0      80.3
     156.0       3.3
     157.0     100.0
     158.0       4.0
     159.0      27.3
     185.0       1.5
     187.0       2.8
     189.0       1.3
     201.0       1.1

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₃ H₅ Br₂ Cl	0.04 ml : 0.5 ml CDCl₃
1,2-dibromo-3-chloropropane

    Assign.     Shift(ppm)

      A             4.355
      B     *1      4.024
      C     *1      3.965
      D     *2      3.898
      E     *2      3.871
     
     J(B,C)=-11.9HZ, J(A,B)=4.4HZ, J(A,C)=5.9HZ, J(D,E)=-10.9HZ, J(A,D)=4.
     9HZ
     J(A,E)=7.1HZ

     Hz     ppm     Int.

    402.94   4.500     41
    398.50   4.450     53
    397.88   4.443     47
    397.06   4.434     62
    395.94   4.421     63
    393.56   4.395     51
    392.63   4.384     82
    391.88   4.376     63
    391.50   4.372     86
    390.63   4.362     49
    390.00   4.355    110
    387.75   4.330     76
    386.63   4.317     73
    385.56   4.306    115
    385.00   4.299    109
    380.69   4.251    118
    373.19   4.167     53
    368.75   4.118     40
    361.31   4.035    597
    359.63   4.016    561
    356.88   3.985    383
    354.88   3.963     54
    353.69   3.950    396
    348.94   3.897   1000
    347.69   3.883     96
    344.06   3.842    385
    341.81   3.817    348
    330.94   3.696     42