3141-24-0

2,3,5-三溴噻吩(3141-24-0)质谱(MS)

产品名称:2,3,5-三溴噻吩

CAS:3141-24-0

分子式:C4HBr3S

分子量: 320.83

InChI:InChI=1S/C4HBr3S/c5-2-1-3(6)8-4(2)7/h1H

InChIKey: SKDNDSLDRLEELJ-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0252          
2,3,5-tribromothiophene
C4HBr3S             (Mass of molecular ion:    318)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      25.0       1.1
      28.0       1.5
      32.0       2.4
      36.0       4.7
      37.0      25.8
      38.0       1.5
      44.0       8.0
      45.0      12.1
      48.0       1.6
      49.0       5.5
      56.0       3.4
      57.0       4.6
      68.0       3.4
      69.0       6.1
      79.0       4.0
      79.5       1.7
      80.0      29.0
      80.5       2.6
      81.0      65.1
      82.0       7.9
      83.0       2.3
      91.0       3.0
      93.0       2.9
     115.0       2.0
     116.0       6.8
     117.0       3.1
     118.0       6.7
     119.0       3.0
     119.5       3.5
     120.0       4.0
     120.5       7.0
     121.0       2.6
     121.5       3.5
     123.0       5.6
     125.0       5.7
     128.0       1.2
     130.0       1.2
     135.0       3.9
     137.0       4.0
     159.0       6.6
     160.0      61.9
     161.0      17.1
     162.0      57.3
     163.0       4.7
     164.0       2.5
     195.0       7.2
     197.0      14.1
     199.0       6.9
     239.0      30.6
     240.0       5.7
     241.0      61.5
     242.0       9.8
     243.0      32.1
     244.0       4.8
     245.0       1.5
     318.0      34.6
     319.0       2.5
     320.0     100.0
     321.0       5.8
     322.0      99.1
     323.0       5.3
     324.0      34.9
     325.0       1.7
     326.0       1.3

parameter in cyclohexane

parameter in CDCl3

¹H NMR	300 MHz
C₄ H Br₃ S	3.2 mol% in cyclohexane
2,3,5-tribromothiophene

    Parameter     ppm  Hz

      D(A)         6.76
     
     TAKAHASHI,K. ET AL. BULL CHEM.SOC.JPN. 38, 1041 (1961)
     J(C-13,A):181HZ.

     Hz     ppm     Int.

   2028.00   6.760   1000

¹H NMR	300 MHz
C₄ H Br₃ S	0.04 ml : 0.5 ml CDCl₃
2,3,5-tribromothiophene

    Parameter     ppm  Hz

      D(A)         6.888

     Hz     ppm     Int.

   2066.40   6.888   1000

in CDCl3

liquid film

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