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返回ChemicalBook首页>CAS数据库列表>20605-01-0更多图谱> 双羟甲基丙二酸二乙酯(20605-01-0)红外图谱(IR1)

20605-01-0

双羟甲基丙二酸二乙酯(20605-01-0)红外图谱(IR1)

分子式:C9H16O6

分子量: 220.22

InChI:InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3

InChIKey: WIOHBOKEUIHYIC-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(CO)(CO)C(OCC)=O

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    Mass

    MS-NW-6508          
    diethyl bis(hydroxymethyl)malonate
    C9H16O6             (Mass of molecular ion:    220)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          14.0       2.0
          15.0       5.5
          17.0       2.1
          18.0       9.6
          19.0       1.9
          26.0      10.0
          27.0      35.0
          28.0      16.2
          29.0     100.0
          30.0      35.9
          31.0      14.3
          39.0       1.0
          41.0       2.2
          42.0      13.2
          43.0      31.1
          44.0       4.4
          45.0      19.3
          46.0       1.5
          47.0       2.7
          53.0       3.7
          54.0      12.2
          55.0      22.6
          56.0       4.2
          57.0       1.5
          58.0       2.4
          60.0       8.3
          61.0       3.9
          69.0       8.3
          70.0       3.4
          71.0       9.7
          72.0      10.3
          73.0       8.6
          82.0       3.0
          83.0       5.3
          84.0       1.1
          85.0       2.2
          86.0       6.0
          87.0      12.7
          88.0      16.1
          89.0       5.9
          97.0       1.1
          98.0       2.2
          99.0      53.2
         100.0      12.9
         101.0       5.6
         104.0       1.5
         105.0       2.6
         108.0       2.0
         114.0       3.2
         115.0      48.4
         116.0       6.7
         117.0      16.6
         118.0       1.7
         125.0       1.0
         126.0      17.6
         127.0      73.9
         128.0      10.7
         129.0       2.2
         131.0       1.4
         132.0       2.3
         133.0      21.9
         134.0       1.4
         143.0       7.7
         144.0       4.8
         145.0       9.6
         146.0       1.1
         160.0       6.2
         173.0       1.3
         175.0       1.0
         189.0       3.3
         190.0       1.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H16 O6 0.046 g : 0.5 ml CDCl3
    diethyl bis(hydroxymethyl)malonate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.24 B 4.108 C 3.0 D 1.28

         Hz     ppm     Int.
    

        391.25   4.369    140
        384.13   4.290    487
        381.06   4.255     35
        380.63   4.251     36
        380.19   4.246     36
        379.56   4.239     34
        377.00   4.210    523
        373.19   4.167     39
        369.81   4.130    246
        367.75   4.107    566
        266.56   2.977     63
        121.75   1.360    511
        116.31   1.299     31
        114.69   1.281   1000
        110.44   1.234     36
        109.88   1.227     30
        109.25   1.220     32
        107.50   1.201    460
    

in CDCl3

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KBr disc

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nujol mull

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