1961-72-4

3-羟基肉豆蔻酸(1961-72-4)红外图谱(IR1)

产品名称:3-羟基肉豆蔻酸

CAS:1961-72-4

分子式:C14H28O3

分子量: 244.37

InChI:InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)

InChIKey: ATRNZOYKSNPPBF-UHFFFAOYSA-N

Smiles:C(O)(=O)CC(O)CCCCCCCCCCC

Mass

MS-NW-2312          
3-hydroxytetradecanoic acid
C14H28O3            (Mass of molecular ion:    244)

   Source Temperature: 200 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       3.6
      27.0       6.6
      28.0       1.5
      29.0      13.5
      39.0       4.2
      41.0      23.8
      42.0       6.4
      43.0      30.6
      44.0       3.2
      45.0       1.9
      47.0       1.2
      53.0       1.8
      54.0       3.7
      55.0      23.2
      56.0      12.9
      57.0      20.7
      58.0       9.1
      59.0       3.6
      60.0       4.4
      61.0       1.3
      67.0       6.1
      68.0       5.9
      69.0      18.1
      70.0      11.3
      71.0      26.8
      72.0       1.4
      73.0       3.3
      81.0       5.9
      82.0       9.3
      83.0      14.6
      84.0       8.7
      85.0       4.9
      86.0       1.8
      87.0       3.9
      88.0       3.1
      89.0     100.0
      90.0       3.8
      91.0       1.0
      95.0       4.4
      96.0       8.0
      97.0      12.9
      98.0       6.9
      99.0       2.3
     100.0       2.6
     101.0       1.8
     109.0       2.5
     110.0       3.9
     111.0       6.9
     112.0       3.2
     113.0       2.2
     114.0       4.0
     115.0       1.0
     123.0       2.0
     124.0       3.2
     125.0       2.2
     126.0       1.2
     127.0       2.5
     128.0       1.3
     129.0       1.0
     137.0       1.4
     138.0       2.2
     140.0       3.7
     154.0       1.0
     164.0       1.8
     166.0       5.3
     167.0       1.2
     183.0       1.0
     208.0       3.4
     226.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₂₈ O₃	0.048 g : 0.5 ml CDCl₃
3-hydroxytetradecanoic acid

    Assign.     Shift(ppm)

      A             7.2
      B             4.04
      C     *1      2.54
      D     *1      2.48
      E             1.42
      F             1.26
      G             0.88

     Hz     ppm     Int.

    641.47   7.163     31
    227.72   2.543    100
    223.45   2.495     56
    220.03   2.457     51
    133.39   1.490     41
    127.23   1.421     66
    126.81   1.416     65
    126.46   1.413     64
    126.12   1.409     64
    125.18   1.398     64
    124.76   1.394     65
    112.96   1.262   1000
    105.53   1.179     43
    105.02   1.173     42
     84.08   0.939     47
     83.74   0.936     47
     81.52   0.911     39
     81.18   0.907     39
     80.75   0.902     38
     78.78   0.880    148
     72.63   0.811     33

in CDCl3