3034-53-5

2-溴噻唑(3034-53-5)質(zhì)譜(MS)

產(chǎn)品名稱:2-溴噻唑

CAS:3034-53-5

分子式:C3H2BrNS

分子量: 164.02

InChI:InChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H

InChIKey: RXNZFHIEDZEUQM-UHFFFAOYSA-N

Smiles:S1C=CN=C1Br

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-8645          
2-bromothiazole
C3H2BrNS            (Mass of molecular ion:    163)

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

      26.0       2.7
      32.0       2.4
      38.0       1.2
      40.0       1.9
      44.0       2.5
      45.0       5.5
      51.0       1.3
      56.0       1.4
      57.0      12.3
      58.0     100.0
      59.0       3.7
      60.0       4.6
      79.0       1.4
      81.0       1.7
      82.0       1.5
      83.0       2.5
     163.0      58.7
     164.0       2.9
     165.0      59.7
     166.0       2.6
     167.0       2.6

90 MHz in CDCl3

parameter in CCl4

¹H NMR	89.56 MHz
C₃ H₂ Br N S	0.04 ml : 0.5 ml CDCl₃
2-bromothiazole

    Assign.     Shift(ppm)

      A             7.605
      B             7.306
     
     J(A,B)=3.6HZ.

     Hz     ppm     Int.

    683.13   7.628    246
    679.56   7.588    316
    656.00   7.325   1000
    652.38   7.285    804

¹H NMR	300 MHz
C₃ H₂ Br N S	in CCl₄
2-bromothiazole

    Parameter     ppm  Hz

      D(A)         7.59
      D(B)         7.35
       J(A,B)          3.4
     
     CLARKE,G.M. & WILLIAMS,D.H. J.CHEM.SOC. 1965, 4597

     Hz     ppm     Int.

   2278.74   7.596    912
   2275.34   7.584   1000
   2206.66   7.356   1000
   2203.26   7.344    912

in CDCl3

liquid film

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2-溴噻唑(3034-53-5)質(zhì)譜(MS)