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126-11-4

三(羟甲基)硝基甲烷(126-11-4)红外图谱(IR2)

分子式:C4H9NO5

分子量: 151.12

InChI:InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2

InChIKey: OLQJQHSAWMFDJE-UHFFFAOYSA-N

Smiles:C(O)C(CO)([N+]([O-])=O)CO

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    Mass

    MS-NW-5100          
    2-hydroxymethyl-2-nitro-1,3-propanediol
    C4H9NO5             (Mass of molecular ion:    151)
    

       Source Temperature: 160 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          12.0       1.0
          13.0       1.0
          14.0       1.8
          15.0       3.1
          17.0       6.9
          18.0      31.9
          19.0      12.6
          25.0       1.4
          26.0       8.6
          27.0      33.3
          28.0      23.0
          29.0      90.4
          30.0      50.1
          31.0      71.3
          32.0       1.4
          37.0       1.3
          38.0       2.5
          39.0      14.0
          40.0       8.8
          41.0      22.3
          42.0       2.5
          43.0       8.3
          44.0       4.0
          45.0       9.8
          46.0       1.7
          47.0       4.0
          48.0       1.4
          49.0       1.3
          53.0       1.1
          54.0       1.8
          55.0      17.7
          56.0      27.7
          57.0     100.0
          58.0       5.3
          59.0       1.5
          68.0      10.8
          69.0       4.8
          73.0      13.2
          74.0      12.3
          75.0       2.0
          85.0       4.3
          86.0       6.0
          87.0       4.0
         104.0       1.9
    

in D2O

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KBr disc

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nujol mull

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