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126-30-7

新戊二醇(126-30-7)Raman光谱

产品名称:新戊二醇

CAS:126-30-7

分子式:C5H12O2

分子量: 104.15

InChI:InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3

InChIKey: SLCVBVWXLSEKPL-UHFFFAOYSA-N

Smiles:C(O)C(C)(C)CO

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    Mass

    MS-NW-1684          
    2,2-dimethyl-1,3-propanediol
    C5H12O2             (Mass of molecular ion:    104)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.0
          18.0       1.2
          19.0       3.2
          27.0      13.9
          28.0       5.0
          29.0      19.8
          31.0      29.8
          32.0       1.2
          38.0       1.1
          39.0      12.6
          40.0       2.4
          41.0      29.1
          42.0       2.1
          43.0      29.1
          44.0       1.2
          45.0      18.4
          53.0       3.4
          55.0      72.5
          56.0     100.0
          57.0      12.3
          58.0       1.8
          59.0       2.7
          68.0       1.2
          71.0      11.0
          72.0       5.5
          73.0      63.4
          74.0       4.7
          86.0       2.2
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H12 O2 0.045 g : 0.5 ml CDCl3
    2,2-dimethyl-1,3-propanediol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.46 B 0.892

         Hz     ppm     Int.
    

        310.25   3.465    604
         79.88   0.892   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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