56805-23-3

3,6-亚壬基-1-醇(56805-23-3)质谱(MS)

产品名称:3,6-亚壬基-1-醇

CAS:56805-23-3

分子式:C9H16O

分子量: 140.22

InChI:InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3-,7-6+

InChIKey: PICGPEBVZGCYBV-WWVFNRLHSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6969          
trans,cis-3,6-nonadien-1-ol
C9H16O              (Mass of molecular ion:    140)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       4.0
      27.0      13.9
      28.0       4.2
      29.0      13.8
      31.0      10.5
      38.0       1.0
      39.0      21.6
      40.0       3.4
      41.0      44.0
      42.0       3.8
      43.0       9.9
      50.0       1.7
      51.0       5.1
      52.0       2.8
      53.0      14.4
      54.0      14.8
      55.0      42.8
      56.0       4.3
      57.0       4.9
      58.0       2.1
      63.0       1.6
      65.0       9.5
      66.0       5.5
      67.0     100.0
      68.0      30.4
      69.0       9.5
      70.0       6.8
      71.0       8.8
      72.0       3.8
      77.0      23.4
      78.0       5.2
      79.0      48.1
      80.0      14.9
      81.0      32.7
      82.0       4.8
      83.0       5.0
      84.0       8.4
      85.0       1.4
      86.0       1.0
      91.0      23.4
      92.0       3.9
      93.0      56.5
      94.0      10.5
      95.0      10.3
      96.0      13.0
      97.0       6.6
      98.0       9.6
     105.0       3.4
     107.0      16.3
     108.0       1.7
     109.0      18.2
     110.0       3.0
     111.0       4.2
     112.0       2.1
     122.0      17.3
     123.0       1.9
     140.0       6.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ O	0.05 ml : 0.5 ml CDCl₃
trans,cis-3,6-nonadien-1-ol

    Assign.     Shift(ppm)

      A             5.52
      B             5.44
      C             5.42
      D             5.34
      E             3.607
      F             2.759
      G             2.37
      J             2.260
      K             2.044
      L             0.962

     Hz     ppm     Int.

   2224.24   5.566     42
   2219.24   5.553     47
   2218.02   5.550     77
   2217.04   5.548     42
   2211.91   5.535     41
   2210.08   5.531     47
   2208.98   5.528     76
   2207.76   5.525     45
   2203.86   5.515     87
   2202.76   5.512    151
   2201.66   5.509     88
   2197.63   5.499     49
   2196.66   5.497     84
   2195.80   5.495     51
   2182.74   5.462     36
   2181.15   5.458     81
   2179.81   5.455     93
   2178.47   5.451     45
   2175.54   5.444     74
   2174.32   5.441    157
   2173.10   5.438    177
   2171.75   5.435    103
   2170.65   5.432     80
   2169.07   5.428     64
   2167.48   5.424     86
   2166.26   5.421    105
   2164.79   5.417    125
   2163.57   5.414    152
   2162.35   5.411     96
   2159.06   5.403     55
   2157.84   5.400    112
   2156.49   5.396    113
   2152.34   5.386     32
   2151.00   5.383     44
   2146.00   5.370     54
   2144.90   5.367     78
   2143.55   5.364     42
   2139.04   5.353     85
   2137.70   5.349    135
   2136.23   5.346     74
   2134.16   5.341     43
   2131.96   5.335     47
   2130.49   5.331     70
   2128.54   5.327     53
   2127.08   5.323     78
   2125.61   5.319     46
   2119.75   5.305     42
   1448.12   3.624    348
   1445.68   3.618     35
   1441.65   3.608    648
   1435.18   3.592    353
   1109.50   2.777    126
   1103.27   2.761    211
   1102.66   2.760    211
   1096.07   2.743    122
    947.27   2.371     66
    914.43   2.289     48
    913.33   2.286     94
    912.23   2.283     94
    911.25   2.281     55
    910.03   2.278     44
    907.84   2.272    123
    906.86   2.270    238
    905.64   2.267    237
    904.66   2.264    123
    901.25   2.256    126
    900.15   2.253    234
    899.05   2.250    231
    894.65   2.239     51
    893.55   2.236     89
    892.58   2.234     86
    833.13   2.085     41
    832.52   2.084     39
    831.79   2.082     39
    825.56   2.066    157
    824.83   2.064    141
    824.22   2.063    131
    817.99   2.047    231
    817.26   2.045    206
    810.91   2.030    162
    810.42   2.028    163
    809.69   2.026    146
    803.47   2.011     57
    802.86   2.009     55
    802.12   2.008     45
    391.97   0.981    578
    389.77   0.976     39
    384.52   0.963   1000
    376.95   0.944    548

in CDCl3