4516-90-9

2-甲基-3-丁烯-1-醇(4516-90-9)质谱(MS)

产品名称:2-甲基-3-丁烯-1-醇

CAS:4516-90-9

分子式:C5H10O

分子量: 86.13

InChI:InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3

InChIKey: NVGOATMUHKIQQG-UHFFFAOYSA-N

Smiles:C(O)C(C)C=C

¹HNMR

¹³CNMR

Raman

Mass

MS-IW-6158          
2-methyl-3-buten-1-ol
C5H10O              (Mass of molecular ion:     86)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       2.1
      26.0       2.3
      27.0      22.4
      28.0       9.8
      29.0      39.5
      30.0       2.2
      31.0      30.1
      38.0       2.0
      39.0      26.4
      40.0       5.8
      41.0      53.1
      42.0       4.1
      43.0       9.1
      44.0       4.7
      45.0       2.6
      50.0       2.7
      51.0       3.6
      52.0       1.4
      53.0      16.9
      54.0       9.9
      55.0      84.2
      56.0     100.0
      57.0      15.7
      58.0      22.1
      67.0       9.7
      68.0      13.4
      69.0       2.8
      71.0       6.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O	0.01 ml : 0.5 ml CDCl₃
2-methyl-3-buten-1-ol

    Assign.     Shift(ppm)

      A             5.713
      B             5.13
      C             5.11
      D     *1      3.513
      E     *1      3.440
      F             2.372
      G             1.7
      F             1.021

     Hz     ppm     Int.

   2301.76   5.760     70
   2294.31   5.741     73
   2291.50   5.734     77
   2284.42   5.717    107
   2276.98   5.698     87
   2274.17   5.691     89
   2266.60   5.672     89
   2059.33   5.153    109
   2058.11   5.150    134
   2057.62   5.149    148
   2056.40   5.146    131
   2047.12   5.123    143
   2046.26   5.121    147
   2045.41   5.119    112
   2044.43   5.116     99
   2042.11   5.110     89
   2040.28   5.106    144
   2039.06   5.103    134
   2036.87   5.097    141
   2035.89   5.095    144
   2035.03   5.093     95
   2034.06   5.090     80
   1413.70   3.538     95
   1408.08   3.524    102
   1403.20   3.512    185
   1397.58   3.498    184
   1382.20   3.459    202
   1374.76   3.440    208
   1371.70   3.433    108
   1364.14   3.414    111
    956.18   2.393     39
    955.44   2.391     53
    954.59   2.389     50
    948.73   2.374     69
    947.75   2.372     66
    942.99   2.360     34
    942.02   2.358     53
    941.16   2.355     51
    940.31   2.353     35
    695.31   1.740     32
    411.38   1.030   1000
    408.94   1.024     42
    404.54   1.013    981
    402.22   1.007     38

in CDCl3