598-32-3

3-丁烯-2-醇(598-32-3)Raman光谱

产品名称:3-丁烯-2-醇

CAS:598-32-3

分子式:C4H8O

分子量: 72.11

InChI:InChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3

InChIKey: MKUWVMRNQOOSAT-UHFFFAOYSA-N

Smiles:CC(O)C=C

Mass

MS-NW-4344          
3-buten-2-ol
C4H8O               (Mass of molecular ion:     72)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0       3.9
      19.0       1.7
      26.0       6.5
      27.0      29.9
      28.0       3.9
      29.0      24.4
      31.0      10.4
      37.0       1.9
      38.0       2.6
      39.0      13.7
      40.0       1.2
      41.0       6.1
      42.0       3.7
      43.0      73.1
      44.0       5.8
      45.0      30.6
      49.0       1.4
      50.0       4.3
      51.0       3.5
      52.0       1.1
      53.0       6.9
      54.0       5.9
      55.0      10.3
      56.0       1.0
      57.0     100.0
      58.0       3.4
      71.0      13.8
      72.0       2.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₈ O	0.04 ml : 0.5 ml CDCl₃
3-buten-2-ol

    Assign.     Shift(ppm)

      A             5.90
      B             5.21
      C             5.07
      D             4.29
      E             2.06
      F             1.276
     
     J(D,F)=6.5HZ.

     Hz     ppm     Int.

    547.69   6.116     59
    542.00   6.052     61
    537.50   6.002     74
    531.88   5.939     77
    530.44   5.923    101
    524.75   5.860    105
    520.25   5.809    122
    514.63   5.747    134
    475.69   5.312     83
    474.31   5.297    135
    473.94   5.292    130
    472.69   5.278    117
    459.25   5.128    130
    458.06   5.115    164
    457.50   5.109    143
    456.69   5.100    115
    456.38   5.096    117
    455.50   5.086     70
    449.13   5.015     85
    447.88   5.001    115
    447.38   4.996     86
    446.19   4.983     87
    392.31   4.381     36
    391.88   4.376     34
    391.13   4.368     56
    386.69   4.318     33
    385.44   4.304     66
    384.69   4.296     68
    383.44   4.282     33
    380.25   4.246     32
    379.00   4.232     57
    378.25   4.224     35
    377.81   4.219     32
    184.56   2.061    132
    183.81   2.053    124
    117.38   1.311   1000
    110.94   1.239    952

in CDCl3