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返回ChemicalBook首页>CAS数据库列表>3964-18-9更多图谱> 2,3-二甲基-2,3-二硝基丁烷(3964-18-9)Raman光谱

3964-18-9

2,3-二甲基-2,3-二硝基丁烷(3964-18-9)Raman光谱

分子式:C6H12N2O4

分子量: 176.17

InChI:InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3

InChIKey: DWCLXOREGBLXTD-UHFFFAOYSA-N

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

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    Mass

    MS-NW-6356          
    2,3-dimethyl-2,3-dinitrobutane
    C6H12N2O4           (Mass of molecular ion:    176)
    

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

          15.0       1.9
          18.0       2.5
          27.0       6.8
          28.0       5.6
          29.0       7.2
          30.0      12.7
          31.0       1.2
          38.0       1.0
          39.0      14.0
          40.0       3.7
          41.0      44.9
          42.0       7.4
          43.0       9.2
          51.0       1.3
          53.0       3.8
          54.0       1.0
          55.0      18.2
          56.0       8.3
          57.0     100.0
          58.0       5.8
          59.0       6.5
          65.0       1.1
          67.0       3.8
          69.0      45.8
          70.0       2.8
          83.0       9.0
          84.0      19.8
          85.0       4.7
         100.0      16.0
         101.0       1.2
    

parameter in CDCl3

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    1H NMR 300 MHz
    C6 H12 N2 O4 0.049 g : 0.5 ml CDCl3
    2,3-dimethyl-2,3-dinitrobutane
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 1.737

         Hz     ppm     Int.
    

        521.10   1.737   1000
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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