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10487-71-5

反-丁烯酰氯(10487-71-5)核磁图(1HNMR)

产品名称:反-丁烯酰氯

CAS:10487-71-5

分子式:C4H5ClO

分子量: 104.53

InChI:InChI=1S/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3

InChIKey: RJUIDDKTATZJFE-UHFFFAOYSA-N

Smiles:C(Cl)(=O)C=CC

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    Mass

    MS-NW-2640          
    crotonoyl chloride
    C4H5ClO             (Mass of molecular ion:    104)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.3
          26.0       3.5
          27.0       3.0
          28.0       1.7
          35.0       1.0
          36.0       2.5
          37.0       5.0
          38.0       8.0
          39.0      53.6
          40.0       7.7
          41.0      57.8
          42.0       2.4
          53.0       1.0
          63.0       1.7
          68.0       2.5
          69.0     100.0
          70.0       4.4
          76.0       1.9
          77.0       1.4
         105.0       1.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C4 H5 Cl O 0.05 ml : 0.5 ml CDCl3
    crotonoyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.24 B 6.11 C 1.997

         Hz     ppm     Int.
    

        667.31   7.451     62
        660.31   7.373    193
        653.38   7.296    206
        652.25   7.283     89
        646.50   7.219     70
        645.25   7.205    257
        638.31   7.128    261
        631.44   7.051     88
        555.81   6.207     98
        554.19   6.188    285
        552.56   6.170    284
        550.94   6.152     93
        540.75   6.038     63
        539.06   6.019    206
        537.44   6.001    215
        535.81   5.983     71
        183.13   2.045    982
        181.50   2.027    990
        179.69   2.007     48
        176.19   1.968    957
        174.56   1.950   1000
        172.13   1.922     33
    

in CDCl3

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liquid film

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