143-07-7

月桂酸(143-07-7)质谱(MS)

产品名称:月桂酸

CAS:143-07-7

分子式:C12H24O2

分子量: 200.32

InChI:InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

InChIKey: POULHZVOKOAJMA-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCCCCC

Mass

MS-NW-2307          
lauric acid
C12H24O2            (Mass of molecular ion:    200)

   Source Temperature: 170 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.3
      27.0      17.6
      28.0       3.9
      29.0      29.6
      31.0       1.5
      39.0      10.5
      40.0       2.1
      41.0      49.5
      42.0      11.0
      43.0      62.8
      44.0       2.2
      45.0       5.7
      53.0       3.0
      54.0       3.5
      55.0      39.5
      56.0      11.4
      57.0      52.1
      58.0       2.4
      59.0       3.4
      60.0      98.0
      61.0      18.8
      67.0       3.7
      68.0       3.5
      69.0      23.2
      70.0       8.2
      71.0      32.8
      72.0       1.7
      73.0     100.0
      74.0       9.0
      79.0       1.0
      81.0       2.8
      82.0       3.5
      83.0      12.7
      84.0       8.6
      85.0      30.2
      86.0       2.1
      87.0      16.5
      88.0       2.7
      95.0       1.5
      96.0       3.3
      97.0       9.9
      98.0       9.7
      99.0       7.4
     101.0      13.1
     102.0       2.4
     110.0       1.7
     111.0       5.2
     112.0       3.2
     115.0      16.2
     116.0       2.0
     129.0      31.3
     130.0       2.6
     138.0       4.7
     140.0       5.9
     141.0       3.7
     143.0       6.7
     157.0      22.0
     158.0       2.3
     171.0       7.1
     172.0       1.0
     200.0      27.5
     201.0       3.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₂ H₂₄ O₂	0.048 g : 0.5 ml CDCl₃
lauric acid

    Assign.     Shift(ppm)

      A            11.
      B             2.34
      C             1.64
      D          1.46 to 1.07
      E             0.88

     Hz     ppm     Int.

    218.13   2.436     35
    217.12   2.425     35
    210.53   2.351     92
    202.92   2.266     72
    146.40   1.635     32
    145.94   1.630     33
    145.02   1.620     30
    125.97   1.407     47
    125.33   1.400     46
    124.23   1.388     48
    113.14   1.264   1000
     83.92   0.938     53
     82.18   0.918     44
     81.44   0.910     44
     81.08   0.906     44
     78.79   0.880    177
     72.74   0.813     36

in CDCl3