18495-30-2

四氯丙烷(18495-30-2)质谱(MS)

产品名称:四氯丙烷

CAS:18495-30-2

分子式:C3H4Cl4

分子量: 181.88

InChI:InChI=1S/C3H4Cl4/c4-1-2(5)3(6)7/h2-3H,1H2

InChIKey: BUQMVYQMVLAYRU-UHFFFAOYSA-N

Smiles:C(Cl)(Cl)C(Cl)CCl

Mass

MS-NW-4377          
1,1,2,3-tetrachloropropane
C3H4Cl4             (Mass of molecular ion:    180)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.1
      26.0       3.7
      27.0       4.1
      35.0       2.5
      36.0       2.5
      37.0       5.1
      38.0       6.8
      39.0      14.8
      47.0       3.1
      48.0       3.1
      49.0      23.1
      50.0       1.1
      51.0       7.5
      60.0       2.0
      61.0      22.1
      62.0     100.0
      63.0       9.1
      64.0      31.7
      72.0       1.2
      73.0       6.8
      75.0       6.0
      77.0       1.4
      83.0      38.0
      85.0      24.7
      87.0       4.1
      95.0       6.7
      96.0       8.4
      97.0      39.0
      98.0       6.0
      99.0      22.9
     100.0       1.4
     101.0       3.6
     109.0      73.7
     110.0       2.7
     111.0      47.2
     112.0       1.7
     113.0       7.6
     131.0       1.6
     133.0       1.7
     144.0       8.3
     145.0       2.9
     146.0       8.1
     147.0       2.5
     148.0       2.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₄ Cl₄	0.02 ml : 0.5 ml CDCl₃
1,1,2,3-tetrachloropropane

    Assign.     Shift(ppm)

      A             6.153
      B             4.398
      C     *1      3.92
      D     *1      3.90
     
     J(A,B)=3.5HZ
     J(B,C)=6.1HZ
     J(B,D)=6.7HZ
     J(C,D)=-13.8HZ

     Hz     ppm     Int.

    552.81   6.173    459
    549.38   6.135    461
    402.81   4.498    110
    399.44   4.461    100
    396.75   4.430    132
    396.13   4.424    205
    393.44   4.394    136
    392.75   4.386    197
    390.13   4.357    192
    386.75   4.319    185
    366.38   4.091     57
    352.50   3.936   1000
    346.25   3.867    506
    338.50   3.780     57

in CDCl3