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126-30-7

新戊二醇(126-30-7)紅外圖譜(IR1)

產(chǎn)品名稱: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

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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