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返回ChemicalBook首页>CAS数据库列表>2419-73-0更多图谱> DL-1,4-二氯-2,3-丁二醇(2419-73-0)核磁图(13CNMR)

2419-73-0

DL-1,4-二氯-2,3-丁二醇(2419-73-0)核磁图(13CNMR)

分子式:C4H8Cl2O2

分子量: 159.01

InChI:InChI=1S/C4H8Cl2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2

InChIKey: SAUBRJOIKMVSRU-UHFFFAOYSA-N

Smiles:C(Cl)C(O)C(O)CCl

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    Mass

    MS-IW-8230          
    1,4-dichloro-2,3-butanediol
    C4H8Cl2O2           (Mass of molecular ion:    158)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          14.0       1.4
          15.0      10.5
          18.0       3.0
          19.0       4.8
          26.0       2.0
          27.0      19.1
          28.0       4.1
          29.0      11.1
          31.0       5.3
          35.0       1.6
          36.0      12.8
          38.0       4.4
          39.0       3.8
          41.0       3.7
          42.0       7.5
          43.0      67.5
          44.0     100.0
          45.0      14.1
          47.0       1.4
          49.0       9.0
          50.0       4.3
          51.0       3.2
          52.0       1.1
          53.0       1.1
          55.0       5.1
          57.0       3.4
          60.0       1.4
          61.0       1.7
          62.0       1.8
          63.0      10.6
          65.0       3.6
          73.0       7.3
          75.0       1.1
          77.0       4.1
          78.0       6.2
          79.0      46.5
          80.0       3.4
          81.0      14.7
          86.0       4.2
          91.0      25.1
          92.0       1.2
          93.0       8.4
         105.0       1.0
         109.0      53.2
         110.0       1.9
         111.0      17.2
    

parameter in DMSO-d6

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    1H NMR 300 MHz
    C4 H8 Cl2 O2 0.037 g : 0.5 ml DMSO-d6
    1,4-dichloro-2,3-butanediol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 5.3 D(B) 3.720 D(C) *1 3.671 D(D) *1 3.505 J(B,C) 5.5 J(B,D) 6.1 J(C,D) -10.7

         Hz     ppm     Int.
    

       1590.00   5.300     45
       1122.30   3.741    385
       1116.84   3.723    886
       1111.26   3.704   1000
       1109.04   3.697    847
       1103.61   3.679    153
       1098.86   3.663    846
       1093.47   3.645    540
       1066.32   3.554     50
       1058.68   3.529    714
       1053.04   3.510    626
       1048.54   3.495    498
       1042.90   3.476    399
       1035.25   3.451     19
    

in DMSO-d6

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KBr disc

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nujol mull

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