13116-53-5

四氯丙烷(13116-53-5)质谱(MS)

产品名称:四氯丙烷

CAS:13116-53-5

分子式:C3H4Cl4

分子量: 181.88

InChI:InChI=1S/C3H4Cl4/c4-1-3(6,7)2-5/h1-2H2

InChIKey: UDPHJTAYHSSOQB-UHFFFAOYSA-N

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

Mass

MS-NW-0957          
1,2,2,3-tetrachloropropane
C3H4Cl4             (Mass of molecular ion:    180)

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

      25.0       1.5
      26.0       4.6
      27.0       1.3
      35.0       3.7
      36.0       6.3
      37.0      10.4
      38.0      13.7
      39.0      28.6
      40.0       2.8
      47.0       5.0
      48.0       3.1
      49.0      47.7
      50.0       1.5
      51.0      15.0
      60.0       4.7
      61.0      11.8
      62.0       2.0
      63.0       3.9
      72.0       1.9
      73.0      11.0
      74.0       1.4
      75.0      12.6
      77.0       3.4
      83.0      32.8
      85.0      20.3
      87.0       3.4
      95.0      31.0
      96.0      17.7
      97.0      19.8
      98.0      10.9
      99.0       3.5
     100.0       1.6
     109.0      35.7
     110.0       2.1
     111.0      22.8
     112.0       1.4
     113.0       3.7
     130.0      24.4
     131.0     100.0
     132.0      25.1
     133.0      92.7
     134.0       9.3
     135.0      29.1
     136.0       1.4
     137.0       3.2
     144.0      15.4
     145.0      35.6
     146.0      15.8
     147.0      32.3
     148.0       6.0
     149.0      10.6
     151.0       1.1

parameter in CCl4

parameter in CDCl3

¹H NMR	300 MHz
C₃ H₄ Cl₄	10 vol% in CCl₄
1,2,2,3-tetrachloropropane

    Parameter     ppm  Hz

      D(A)         4.17
     
     WHITE,H.F. ANAL.CHEM. 36, 1291 (1964)

     Hz     ppm     Int.

   1251.00   4.170   1000

¹H NMR	300 MHz
C₃ H₄ Cl₄	0.02 ml : 0.5 ml CDCl₃
1,2,2,3-tetrachloropropane

    Parameter     ppm  Hz

      D(A)         4.129

     Hz     ppm     Int.

   1238.70   4.129   1000

in CDCl3

liquid film

4880 A,200 M,liquid

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