75039-84-8

反-2-十一烯醇(75039-84-8)質(zhì)譜(MS)

產(chǎn)品名稱:反-2-十一烯醇

CAS:75039-84-8

分子式:C11H22O

分子量: 170.29

InChI:InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-10,12H,2-8,11H2,1H3/b10-9+

InChIKey: SKBIQKQBLQHOSU-MDZDMXLPSA-N

Smiles:C(O)/C=C/CCCCCCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-6650          
trans-2-undecen-1-ol
C11H22O             (Mass of molecular ion:    170)

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

      18.0       1.8
      27.0      14.2
      28.0       3.8
      29.0      23.9
      31.0       4.6
      39.0      12.3
      40.0       2.3
      41.0      50.7
      42.0      14.3
      43.0      57.4
      44.0      12.3
      45.0       3.9
      51.0       1.1
      53.0       6.4
      54.0      33.1
      55.0      51.9
      56.0      28.8
      57.0     100.0
      58.0       8.4
      59.0       1.0
      65.0       2.0
      66.0       5.5
      67.0      42.2
      68.0      45.5
      69.0      33.6
      70.0      21.0
      71.0      22.5
      72.0       6.8
      73.0       1.5
      77.0       1.5
      79.0       4.3
      80.0       2.2
      81.0      36.4
      82.0      49.9
      83.0      20.8
      84.0       9.1
      85.0       7.5
      86.0       1.5
      94.0       1.2
      95.0      27.2
      96.0      25.3
      97.0      11.1
      98.0       5.4
      99.0       2.6
     109.0      12.0
     110.0      10.0
     111.0       2.6
     113.0       1.1
     123.0       4.9
     124.0       7.3
     126.0       1.7
     152.0       9.2
     153.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₂ O	0.05 ml : 0.5 ml CDCl₃
trans-2-undecen-1-ol

    Assign.     Shift(ppm)

      A             5.67
      B             5.63
      C             4.062
      D             2.42
      E             2.032
      F             1.37
      G             1.30
      J             1.27
      K             0.880

     Hz     ppm     Int.

   2285.89   5.720     34
   2279.66   5.705     59
   2273.80   5.690     34
   2270.63   5.682     78
   2264.28   5.666    179
   2258.42   5.651    141
   2255.62   5.644    147
   2250.37   5.631    188
   2249.39   5.629     94
   2245.61   5.619     54
   2244.75   5.617     82
   2243.53   5.614     42
   2234.99   5.593     62
   2234.01   5.590     38
   2229.37   5.579     35
   1628.05   4.074    169
   1626.95   4.071    331
   1626.10   4.069    305
   1621.34   4.057    360
   1620.61   4.056    352
    968.51   2.424     58
    822.39   2.058     82
    815.92   2.042    192
    808.59   2.024    192
    802.12   2.008     83
    554.81   1.389     90
    552.98   1.384     82
    547.85   1.371    135
    540.89   1.354    114
    534.30   1.337     78
    533.20   1.335     75
    527.34   1.320    117
    520.02   1.302    250
    507.08   1.269   1000
    358.89   0.899    279
    352.17   0.882    794
    345.09   0.864    325

in CDCl3