月桂酰氯(112-16-3)核磁圖(¹HNMR)

產品名稱:月桂酰氯

CAS:112-16-3

分子式:C12H23ClO

分子量: 218.76

InChI:InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3

InChIKey: NQGIJDNPUZEBRU-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCCCCCCCCC

Mass

MS-IW-3776          
lauroyl chloride
C12H23ClO           (Mass of molecular ion:    218)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0      12.9
      28.0       2.8
      29.0      18.7
      36.0       4.8
      38.0       1.5
      39.0      10.1
      40.0       2.1
      41.0      43.2
      42.0      12.9
      43.0      50.0
      44.0       1.8
      53.0       3.7
      54.0       7.3
      55.0      64.2
      56.0      16.9
      57.0      30.0
      58.0       1.9
      63.0       1.2
      67.0       8.3
      68.0       8.8
      69.0      23.7
      70.0      16.8
      71.0      10.9
      72.0       1.1
      77.0       1.0
      78.0       2.6
      79.0       3.2
      80.0       2.5
      81.0       7.1
      82.0       8.1
      83.0      22.1
      84.0      55.9
      85.0       8.5
      86.0       1.1
      91.0       2.9
      93.0       2.5
      94.0       2.4
      95.0       5.3
      96.0       7.2
      97.0      21.4
      98.0     100.0
      99.0       7.6
     100.0       1.1
     102.0       3.1
     104.0       1.0
     107.0       1.4
     108.0       1.2
     109.0       2.9
     110.0       4.4
     111.0      14.9
     112.0      23.7
     113.0       2.0
     116.0       2.7
     121.0       3.0
     122.0       1.0
     125.0       3.5
     126.0       3.8
     135.0       1.7
     138.0      10.6
     139.0       2.9
     140.0       1.7
     164.0       2.4
     182.0       1.5
     183.0      14.0
     184.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₃ Cl O	0.05 ml : 0.5 ml CDCl₃
lauroyl chloride

    Assign.     Shift(ppm)

      A             2.876
      B             1.703
      C          1.37 to 1.28
      D             1.26
      E             0.880

     Hz     ppm     Int.

   1156.98   2.895    273
   1149.66   2.877    455
   1142.33   2.859    302
    696.17   1.742     35
    688.96   1.724    106
    681.52   1.706    155
    674.07   1.687    128
    666.87   1.669     55
    544.92   1.364     67
    543.46   1.360     66
    535.03   1.339    109
    520.26   1.302    224
    505.25   1.265   1000
    358.89   0.899    195
    352.17   0.882    570
    345.09   0.864    245

in CDCl3