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Monostearin

Product Name Monostearin

CAS123-94-4

MFC21H42O4

MW358.56

¹³CNMR

Mass

MS2014-05080CW      
alpha-monostearin
C21H42O4            (Mass of molecular ion:    358)

   Source Temperature: 250 °C
   Sample Temperature:  25 °C
   Direct, 70 eV

      19.0       1.8
      27.0       3.8
      28.0       1.9
      29.0      13.8
      31.0       3.4
      39.0       2.8
      41.0      30.6
      42.0       7.2
      43.0      52.7
      44.0       5.3
      45.0       6.2
      53.0       1.8
      54.0       4.0
      55.0      43.3
      56.0      12.8
      57.0      55.2
      58.0       4.0
      59.0       2.5
      60.0       8.7
      61.0       9.8
      67.0       9.3
      68.0       5.9
      69.0      33.2
      70.0       8.2
      71.0      32.0
      72.0       2.2
      73.0      16.1
      74.0      58.7
      75.0      20.0
      79.0       2.4
      80.0       1.8
      81.0      11.2
      82.0       6.8
      83.0      26.1
      84.0      54.7
      85.0      22.1
      86.0       2.1
      87.0      14.9
      88.0       1.6
      93.0       5.9
      94.0       2.1
      95.0      14.2
      96.0       6.1
      97.0      22.1
      98.0     100.0
      99.0       9.7
     100.0       2.4
     101.0       4.7
     102.0       1.1
     107.0       2.1
     108.0       1.5
     109.0       8.7
     110.0       3.2
     111.0      15.0
     112.0      34.9
     113.0       5.3
     114.0       1.3
     115.0       4.0
     116.0      17.7
     117.0       2.6
     121.0       4.0
     122.0       1.4
     123.0       4.8
     124.0       2.2
     125.0       7.1
     126.0       7.5
     127.0       2.4
     129.0      15.8
     130.0       1.8
     134.0      57.9
     135.0       5.5
     136.0       1.2
     137.0       2.6
     138.0       1.8
     139.0       3.6
     140.0       5.2
     141.0       1.7
     143.0       5.3
     147.0      10.5
     149.0       2.0
     151.0       1.2
     152.0       1.3
     153.0       2.5
     154.0      12.2
     155.0       2.2
     157.0       1.7
     163.0       1.1
     166.0       1.1
     167.0       2.2
     168.0       6.3
     169.0       1.4
     171.0       2.9
     176.0       4.2
     181.0       1.9
     182.0       6.0
     183.0       1.3
     185.0       5.5
     190.0       1.3
     195.0       2.1
     196.0       4.2
     199.0       2.7
     209.0       1.8
     210.0       6.3
     211.0       5.6
     213.0       2.4
     223.0       1.6
     224.0       2.6
     225.0       1.1
     227.0       3.0
     228.0       1.0
     229.0       1.6
     237.0       1.6
     238.0       6.9
     239.0      49.9
     240.0       8.7
     241.0       4.1
     242.0       1.2
     253.0       1.5
     255.0       2.6
     256.0       7.1
     257.0      15.8
     258.0       2.7
     265.0       1.2
     266.0      10.7
     267.0      53.1
     268.0      10.3
     269.0       2.2
     270.0       6.3
     271.0       2.4
     284.0      10.5
     285.0      17.5
     286.0       3.3
     297.0       1.4
     298.0       7.4
     299.0      10.4
     300.0       2.0
     313.0       1.0
     327.0      10.4
     328.0       2.3
     340.0       1.2

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₁ H₄₂ O₄	0.050 g : 0.5 ml CDCl₃
alpha-monostearin

    Assign.     Shift(ppm)

      A     *1      4.15
      B     *1      4.14
      C             3.92
      D     *2      3.69
      E     *2      3.58
      F             3.10
      G             2.420
      J             1.62
      K             1.26
      L             0.887

     Hz     ppm     Int.

    375.38   4.192     25
    374.44   4.181     27
    369.63   4.128     72
    328.69   3.671     25
    326.50   3.646     32
    325.38   3.634     22
    325.25   3.632     22
    277.44   3.098     79
    210.25   2.348     29
    202.88   2.266     23
    112.69   1.259   1000
     84.31   0.942     24
     78.75   0.880     56

¹H NMR	399.65 MHz
C₂₁ H₄₂ O₄	0.040 g : 0.5 ml CDCl₃
alpha-monostearin

    Assign.     Shift(ppm)

      A     *1      4.167
      B     *1      4.148
      C             3.924
      D     *2      3.689
      E     *2      3.591
      F     *3      3.2
      G     *3      2.9
      J             2.345
      K             1.621
      L             1.29
      M             1.26
      N             0.879

     Hz     ppm     Int.

   1666.50   4.170     73
   1662.48   4.160     82
   1661.50   4.158     89
   1656.62   4.146     77
   1471.92   3.684     45
   1468.14   3.674     41
   1442.75   3.611     45
   1436.77   3.596     43
   1431.15   3.582     30
    944.95   2.365     67
    937.50   2.346    104
    929.69   2.327     75
    648.07   1.622     36
    514.16   1.287    132
    512.82   1.284    132
    501.59   1.256   1000
    358.40   0.897     65
    351.68   0.880    210
    344.73   0.863     81

in CDCl3

KBr disc

nujol mull

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