ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>1961-72-4更多图谱> (R)-3-羟基十四烷酸(1961-72-4)质谱(MS)

(R)-3-羟基十四烷酸(1961-72-4)质谱(MS)

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
    ChemicalStructure
        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



CCl4 solution



KBr disc



nujol mull



×