107-88-0

1,3-丁二醇(107-88-0)Raman光譜

產(chǎn)品名稱:1,3-丁二醇

CAS:107-88-0

分子式:C4H10O2

分子量: 90.12

InChI:InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3

InChIKey: PUPZLCDOIYMWBV-UHFFFAOYSA-N

Smiles:C(O)CC(O)C

Mass

MS-NW-1817          
1,3-butanediol
C4H10O2             (Mass of molecular ion:     90)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       2.9
      15.0      15.1
      17.0       1.0
      18.0       4.5
      19.0      41.4
      26.0       4.4
      27.0      29.2
      28.0      31.1
      29.0      25.1
      30.0       1.5
      31.0      34.2
      37.0       1.0
      38.0       1.7
      39.0      10.9
      40.0       2.6
      41.0      13.9
      42.0      15.1
      43.0     100.0
      44.0      21.1
      45.0      91.4
      46.0       5.2
      47.0       2.2
      53.0       1.2
      54.0       1.2
      55.0       4.3
      57.0      24.9
      58.0       1.3
      71.0       2.3
      72.0      25.6
      73.0       1.5
      75.0       7.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
1,3-butanediol

    Assign.     Shift(ppm)

      A             4.02
      B             3.89
      C             3.79
      D             1.668
      E             1.212
     
     J(A,E)=6.2HZ.

     Hz     ppm     Int.

    368.88   4.119     52
    362.69   4.050    107
    356.63   3.983    118
    348.31   3.890    548
    345.50   3.858    191
    344.44   3.846    185
    338.56   3.781    239
    333.63   3.726    115
    332.50   3.713    127
    158.06   1.765    126
    152.13   1.699    269
    146.38   1.635    227
    140.63   1.571     68
    139.94   1.563     69
    111.56   1.246   1000
    107.44   1.200     49
    105.38   1.177    951

in CDCl3