甲基五氯苯基硫(1825-19-0)質譜(MS)

產品名稱:甲基五氯苯基硫

CAS:1825-19-0

分子式:C7H3Cl5S

分子量: 296.43

InChI:InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

InChIKey: LGZZJTIUEJNNKV-UHFFFAOYSA-N

Smiles:C1(Cl)=C(SC)C(Cl)=C(Cl)C(Cl)=C1Cl

Mass

MS-NW-9687          
pentachloro(methylthio)benzene
C7H3Cl5S            (Mass of molecular ion:    294)

   Source Temperature: 180 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      45.0       5.6
      46.0       1.1
      47.0       4.3
      79.0       2.1
      95.0       2.1
     103.0       2.8
     105.0       1.1
     107.0       1.7
     108.0       1.0
     111.5       1.1
     112.5       1.1
     118.0       1.2
     123.0       1.0
     127.0       1.4
     130.0       1.3
     139.0       4.8
     141.0       2.6
     142.0       3.5
     143.0       1.9
     144.0       2.3
     145.0       1.0
     147.0       1.1
     148.0       1.5
     165.0       2.7
     167.0       2.6
     174.0       4.3
     176.0       3.0
     177.0       2.3
     178.0       1.5
     179.0       2.3
     180.0       1.3
     189.0       2.9
     191.0       2.2
     209.0       3.4
     211.0       3.5
     212.0       2.1
     213.0       1.9
     214.0       2.5
     215.0       1.0
     216.0       1.4
     223.0       2.1
     224.0       2.8
     225.0       2.4
     226.0       3.3
     227.0       1.4
     228.0       1.7
     235.0       1.3
     237.0       1.9
     239.0       1.3
     244.0      28.7
     245.0       2.3
     246.0      38.6
     247.0       3.3
     248.0      22.7
     249.0       2.2
     250.0       9.5
     251.0       1.0
     252.0       3.6
     254.0       1.1
     258.0       1.9
     259.0       6.8
     260.0       2.9
     261.0      30.4
     262.0       3.6
     263.0      39.5
     264.0       3.4
     265.0      23.8
     266.0       1.9
     267.0       7.5
     269.0       1.2
     279.0      11.6
     281.0      18.9
     282.0       1.5
     283.0      12.6
     284.0       1.0
     285.0       4.3
     294.0      61.6
     295.0       6.4
     296.0     100.0
     297.0       9.2
     298.0      66.6
     299.0       5.7
     300.0      22.4
     301.0       1.8
     302.0       4.1

parameter in CDCl3

¹H NMR	300 MHz
C₇ H₃ Cl₅ S	0.037 g : 0.5 ml CDCl₃
pentachloro(methylthio)benzene

    Parameter     ppm  Hz

      D(A)         2.469

     Hz     ppm     Int.

    740.70   2.469   1000

in CDCl3

KBr disc

nujol mull