928-91-6

(Z)-4-己烯-1-醇(928-91-6)質(zhì)譜(MS)

產(chǎn)品名稱:(Z)-4-己烯-1-醇

CAS:928-91-6

分子式:C6H12O

分子量: 100.16

InChI:InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2-3,7H,4-6H2,1H3/b3-2-

InChIKey: VTIODUHBZHNXFP-IHWYPQMZSA-N

Smiles:C(O)CC/C=C\C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2622          
cis-4-hexen-1-ol
C6H12O              (Mass of molecular ion:    100)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.5
      27.0      17.9
      28.0       5.0
      29.0      19.7
      30.0       1.1
      31.0      16.6
      38.0       1.9
      39.0      27.1
      40.0       5.0
      41.0      71.8
      42.0      15.4
      43.0       7.5
      44.0      15.3
      45.0       6.7
      50.0       1.6
      51.0       2.8
      52.0       1.4
      53.0      12.7
      54.0      26.7
      55.0      41.0
      56.0      13.2
      57.0      20.1
      58.0       2.7
      65.0       3.2
      66.0       1.5
      67.0     100.0
      68.0       8.9
      69.0      11.4
      70.0       2.9
      71.0       3.0
      72.0       4.7
      79.0       2.4
      81.0      11.9
      82.0      53.9
      83.0       4.0
     100.0       6.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
cis-4-hexen-1-ol

    Assign.     Shift(ppm)

      A             5.46
      B             5.39
      C             3.598
      D             3.52
      E             2.107
      F             1.61
      G             1.61
     
     J(A,B)=10.7HZ
     J(A,E)=-1.5HZ
     J(A,G)=6.6HZ
     J(B,E)=7.2HZ
     J(B,G)=-1.6HZ

     Hz     ppm     Int.

   2198.97   5.503     53
   2197.51   5.499     30
   2193.85   5.490     82
   2192.38   5.486    144
   2191.04   5.483     78
   2189.70   5.480     57
   2188.23   5.476     98
   2187.13   5.473    113
   2185.79   5.470    141
   2184.81   5.467     77
   2182.98   5.463    137
   2181.64   5.459    254
   2180.30   5.456    172
   2176.39   5.446    148
   2175.05   5.443    282
   2174.07   5.440    185
   2169.80   5.430     77
   2168.70   5.427    150
   2165.89   5.420    169
   2164.55   5.417    145
   2163.09   5.413     63
   2160.28   5.406    118
   2159.06   5.403    251
   2157.59   5.399    234
   2155.88   5.395    109
   2153.69   5.389    110
   2152.10   5.385    144
   2150.39   5.381    129
   2148.32   5.376    145
   2146.73   5.372    138
   2145.14   5.368     65
   2142.82   5.362     34
   2141.24   5.358     71
   2139.65   5.354     76
   2137.94   5.350     34
   1444.70   3.615    575
   1437.99   3.599    958
   1431.27   3.582    586
   1407.59   3.523     86
    854.13   2.138    124
    853.03   2.135    170
    851.93   2.132    136
    845.70   2.117    413
    838.01   2.097    429
    830.81   2.079    197
    830.20   2.078    187
    657.84   1.647    213
    651.12   1.630    538
    646.73   1.619   1000
    646.00   1.617    937
    645.14   1.615    988
    644.17   1.612    823
    640.99   1.604    603
    640.14   1.602    943
    639.16   1.600    765
    638.55   1.598    879
    637.57   1.596    678
    636.23   1.592    555
    629.39   1.575    188

in CDCl3