53778-73-7

1-甲氧基-2-丁醇(53778-73-7)Raman光谱

产品名称:1-甲氧基-2-丁醇

CAS:53778-73-7

分子式:C5H12O2

分子量: 104.15

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

InChIKey: CSZZMFWKAQEMPB-UHFFFAOYSA-N

Smiles:C(OC)C(O)CC

Mass

MS-NW-1068          
1-methoxy-2-butanol
C5H12O2             (Mass of molecular ion:    104)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       6.2
      18.0       1.3
      27.0       6.7
      28.0       2.6
      29.0       6.4
      31.0      48.2
      33.0       2.3
      39.0       2.9
      41.0      19.8
      42.0       1.3
      43.0      13.1
      44.0       2.0
      45.0      40.2
      46.0       3.1
      47.0      20.9
      55.0       3.5
      57.0       5.0
      58.0      32.7
      59.0     100.0
      60.0       3.6
      71.0       2.0
      73.0       7.5
      75.0      20.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
1-methoxy-2-butanol

    Assign.     Shift(ppm)

      A             3.69
      B             3.389
      C     *1      3.39
      D     *1      3.27
      E             2.58
      F             1.47
      G             0.97
     
     J(A,C)=3.2HZ
     J(A,D)=7.6HZ
     J(C,D)=-9.4HZ

     Hz     ppm     Int.

    326.69   3.648     35
    313.13   3.497     32
    309.94   3.461     33
    303.50   3.389   1000
    300.50   3.356    105
    298.13   3.329    123
    290.44   3.243     81
    288.69   3.224     36
    231.44   2.585    338
    139.50   1.558     41
    138.94   1.552     35
    133.44   1.490     47
    131.88   1.473     60
    125.69   1.404     72
     94.06   1.051     67
     93.25   1.042    111
     92.44   1.033     72
     86.56   0.967    192
     84.50   0.944     45
     79.50   0.888     33
     78.63   0.878     51
     77.13   0.862     30

in CDCl3