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2517-43-3

3-甲氧基丁醇(2517-43-3)Raman光譜

產(chǎn)品名稱:3-甲氧基丁醇

CAS:2517-43-3

分子式:C5H12O2

分子量: 104.15

InChI:InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3

InChIKey: JSGVZVOGOQILFM-UHFFFAOYSA-N

Smiles:C(O)CC(OC)C

  • 圖譜
    Mass 

    MS-NW-9315          
3-methoxy-1-butanol
C5H12O2             (Mass of molecular ion:    104)


       Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          15.0       2.2
      27.0       3.8
      28.0       1.5
      29.0      11.1
      31.0      18.8
      33.0       7.1
      39.0       3.2
      41.0       7.0
      42.0       5.2
      43.0       8.1
      45.0       4.2
      55.0       5.7
      56.0       1.8
      57.0       5.5
      58.0       2.8
      59.0     100.0
      60.0       4.0
      71.0       4.6
      72.0       2.4
      73.0       1.3
      86.0       2.1
      89.0       6.9

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C5 H12 O2 0.04 ml : 0.5 ml CDCl3
    3-methoxy-1-butanol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.744
      B             3.59
      C             3.346
      D             2.92
      E             1.73
      F             1.187
  

         Hz     ppm     Int.


        341.63   3.815     63
    336.06   3.753    110
    330.06   3.686     87
    323.19   3.609     39
    317.13   3.541     42
    311.00   3.473     23
    299.69   3.347   1000
    261.44   2.920    104
    163.50   1.826     35
    162.88   1.819     31
    158.00   1.765     54
    157.13   1.755     91
    151.94   1.697     64
    151.38   1.691     73
    145.63   1.627     39
    109.25   1.220    366
    103.13   1.152    345

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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