3141-27-3

2,5-二溴噻吩(3141-27-3)质谱(MS)

产品名称:2,5-二溴噻吩

CAS:3141-27-3

分子式:C4H2Br2S

分子量: 241.93

InChI:InChI=1S/C4H2Br2S/c5-3-1-2-4(6)7-3/h1-2H

InChIKey: KBVDUUXRXJTAJC-UHFFFAOYSA-N

Smiles:C1(Br)SC(Br)=CC=1

Mass

MS-NW-1142          
2,5-dibromothiophene
C4H2Br2S            (Mass of molecular ion:    240)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       2.0
      25.0       2.0
      26.0       1.2
      36.0       2.7
      37.0      20.0
      38.0      26.3
      39.0       1.4
      41.0      11.5
      44.0       7.1
      45.0      18.9
      48.0       1.4
      49.0       6.7
      50.0       4.8
      56.0       3.8
      57.0      23.8
      58.0       1.4
      59.0       1.0
      68.0       2.3
      69.0       7.5
      79.0       4.1
      80.0       7.4
      80.5       1.7
      81.0      27.9
      81.5       1.5
      82.0     100.0
      83.0       6.9
      84.0       4.6
      91.0       1.8
      93.0       1.9
     104.0       1.7
     106.0       1.8
     116.0       2.1
     117.0      30.5
     118.0       3.1
     119.0      29.4
     120.0       4.3
     121.0       7.0
     122.0       3.6
     123.0       4.7
     125.0       4.7
     135.0       1.7
     136.0       7.3
     137.0       1.8
     138.0       7.2
     160.0       2.2
     161.0      48.0
     162.0       5.2
     163.0      47.6
     164.0       3.2
     165.0       2.2
     240.0      47.0
     241.0       2.6
     242.0      90.5
     243.0       4.8
     244.0      46.9
     245.0       2.4
     246.0       1.9

parameter in TMS

parameter in CDCl3

¹H NMR	300 MHz
C₄ H₂ Br₂ S	in TMS
2,5-dibromothiophene

    Parameter     ppm  Hz

      D(A)         6.707
     
     READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965)
     J(A,C-13):174.66HZ. J(A,A):3.98HZ.

     Hz     ppm     Int.

   2012.10   6.707   1000

¹H NMR	300 MHz
C₄ H₂ Br₂ S	0.02 ml : 0.5 ml CDCl₃
2,5-dibromothiophene

    Parameter     ppm  Hz

      D(A)         6.826

     Hz     ppm     Int.

   2047.80   6.826   1000

in CDCl3

liquid film

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