1,2,4-三溴苯(615-54-3)質(zhì)譜(MS)

產(chǎn)品名稱:1,2,4-三溴苯

CAS:615-54-3

分子式:C6H3Br3

分子量: 314.8

InChI:InChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H

InChIKey: FWAJPSIPOULHHH-UHFFFAOYSA-N

Smiles:C1(Br)=CC=C(Br)C=C1Br

Mass

MS-NW-8674          
1,2,4-tribromobenzene
C6H3Br3             (Mass of molecular ion:    312)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      37.0       4.8
      38.0       2.6
      49.0       3.5
      50.0       5.8
      61.0       1.0
      73.0       7.0
      74.0      30.0
      75.0      29.4
      76.0       2.1
      76.5       1.7
      77.0       5.9
      77.5       2.1
      78.0       5.5
      79.0       1.3
      80.0       1.0
      81.0       1.2
      82.0       1.0
     116.0       2.9
     116.5       1.2
     117.0       5.4
     117.5       2.3
     118.0       2.9
     118.5       1.2
     128.0       2.4
     130.0       2.4
     153.0       7.5
     154.0      13.4
     155.0       8.5
     156.0      14.4
     157.0       7.5
     158.0       6.4
     159.0       2.1
     233.0      19.2
     234.0       2.3
     235.0      37.7
     236.0       3.8
     237.0      18.4
     238.0       1.7
     312.0      34.4
     313.0       2.3
     314.0     100.0
     315.0       6.7
     316.0      97.1
     317.0       6.4
     318.0      31.5
     319.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Br₃	0.021 g : 0.5 ml CDCl₃
1,2,4-tribromobenzene

    Assign.     Shift(ppm)

      A             7.773
      B             7.471
      C             7.290

     Hz     ppm     Int.

   3107.42   7.776    887
   3104.98   7.770    946
   2990.97   7.484    788
   2982.42   7.463   1000
   2920.41   7.308    727
   2918.21   7.302    582
   2915.04   7.294     24
   2911.87   7.287    543
   2909.67   7.281    536
   2907.84   7.276     23

in CDCl3