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110-65-6

1,4-丁炔二醇(110-65-6)红外图谱(IR1)

产品名称:1,4-丁炔二醇

CAS:110-65-6

分子式:C4H6O2

分子量: 86.09

InChI:InChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2

InChIKey: DLDJFQGPPSQZKI-UHFFFAOYSA-N

Smiles:C(O)C#CCO

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    Mass

    MS-NW-1612          
    2-butyne-1,4-diol
    C4H6O2              (Mass of molecular ion:     86)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       1.3
          15.0       4.0
          17.0       1.6
          18.0       5.9
          19.0       2.6
          25.0       2.3
          26.0       6.3
          27.0      20.1
          28.0       7.0
          29.0      48.9
          30.0       3.9
          31.0      32.0
          36.0       1.7
          37.0       7.6
          38.0      14.7
          39.0      67.0
          40.0      55.8
          41.0      14.5
          42.0       7.7
          43.0       8.5
          44.0       1.2
          47.0       1.4
          49.0       2.4
          50.0       7.0
          51.0       9.6
          52.0       3.6
          53.0       6.5
          54.0       1.3
          55.0      45.1
          56.0      18.5
          57.0     100.0
          58.0       5.2
          66.0       2.2
          67.0       2.0
          68.0      20.2
          69.0       1.7
          71.0       3.2
          85.0       5.1
          86.0       3.0
    

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in CDCl3

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KBr disc

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nujol mull

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