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106-96-7

3-溴丙炔(106-96-7)核磁图(1HNMR)

产品名称:3-溴丙炔

CAS:106-96-7

分子式:C3H3Br

分子量: 118.96

InChI:InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2

InChIKey: YORCIIVHUBAYBQ-UHFFFAOYSA-N

Smiles:C#CCBr

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    Mass

    MS-NW-4404          
    3-bromopropyne
    C3H3Br              (Mass of molecular ion:    118)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          25.0       1.4
          26.0       1.1
          36.0       2.3
          37.0      13.3
          38.0      24.1
          39.0     100.0
          40.0       3.4
          79.0       2.7
          81.0       2.7
         117.0       1.2
         118.0      24.3
         119.0       1.8
         120.0      23.1
         166.0       1.6
    

parameter in CDCl3

parameter in TMS

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    1H NMR 300 MHz
    C3 H3 Br 0.04 ml : 0.5 ml CDCl3
    3-bromopropyne
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.879 D(B) 2.526 J(A,B) 2.62

         Hz     ppm     Int.
    

       1165.01   3.883    988
       1162.40   3.875   1000
        760.41   2.535    258
        757.80   2.526    497
        755.19   2.517    252
    

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    1H NMR 300 MHz
    C3 H3 Br 2 vol% in TMS
    3-bromopropyne
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 2.240 D(B) 3.683 J(A,B) 2.7 WHIPPLE,E.B. ET AL. J.AM.CHEM.SOC. 81, 1321 (1959)

         Hz     ppm     Int.
    

       1106.26   3.688    988
       1103.57   3.679   1000
        674.69   2.249    257
        672.00   2.240    497
        669.30   2.231    251
    

in CDCl3

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liquid film

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PHOTOLYSIS, TRAPPED WITHIN AR MATRIX

PHOTOLYSIS OF (C2H5)3SIH/DTBPO/HCCCH2BR

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