Isopropyl palmitate(142-91-6) ¹³C NMR

Product NameIsopropyl palmitate

CAS 142-91-6

Molecular FormulaC19H38O2

Molecular Weight298.5

InChIInChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3

InChIKey XUGNVMKQXJXZCD-UHFFFAOYSA-N

SmilesC(OC(C)C)(=O)CCCCCCCCCCCCCCC

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Mass

MS-NW-8692          
isopropyl palmitate
C19H38O2            (Mass of molecular ion:    298)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       1.2
      18.0       6.3
      27.0       6.9
      28.0       3.4
      29.0      14.1
      39.0       5.3
      40.0       1.5
      41.0      42.2
      42.0      12.9
      43.0     100.0
      44.0       8.9
      45.0       2.4
      53.0       1.7
      54.0       3.4
      55.0      40.3
      56.0      13.2
      57.0      75.8
      58.0       4.5
      59.0      19.9
      60.0      86.0
      61.0      52.3
      62.0       1.5
      67.0       7.7
      68.0       4.7
      69.0      29.4
      70.0      10.4
      71.0      49.1
      72.0       3.0
      73.0      41.7
      74.0      10.2
      79.0       1.9
      81.0       9.7
      82.0       6.1
      83.0      28.8
      84.0      13.6
      85.0      31.0
      86.0       2.4
      87.0      17.0
      88.0       3.3
      89.0       1.7
      93.0       1.9
      95.0      10.3
      96.0       5.5
      97.0      24.1
      98.0      16.2
      99.0      10.6
     100.0       1.2
     101.0       9.0
     102.0      72.5
     103.0      11.9
     107.0       1.7
     109.0       6.4
     110.0       3.1
     111.0      12.2
     112.0       5.0
     113.0       6.1
     115.0      12.8
     116.0       5.6
     117.0       1.1
     121.0       2.4
     123.0       4.1
     124.0       1.9
     125.0       7.1
     126.0       2.1
     127.0       4.1
     129.0      27.3
     130.0       4.0
     135.0       2.3
     137.0       2.4
     138.0       1.5
     139.0       4.2
     140.0       1.3
     141.0       2.5
     143.0       8.6
     144.0       2.3
     149.0       1.8
     151.0       1.1
     152.0       1.2
     153.0       2.5
     154.0       1.0
     155.0       1.3
     157.0      11.7
     158.0       2.3
     163.0       1.2
     167.0       1.6
     168.0       1.0
     171.0      11.5
     172.0       2.0
     181.0       1.0
     185.0      12.5
     186.0       1.9
     194.0       1.5
     196.0       1.2
     199.0       6.2
     200.0       1.1
     213.0      12.0
     214.0       1.9
     219.0       1.4
     227.0       4.7
     228.0       1.3
     237.0       2.0
     239.0      18.4
     240.0       3.3
     241.0       2.6
     255.0       1.3
     256.0      38.8
     257.0      25.6
     258.0       4.1
     267.0       2.5
     270.0       1.9
     271.0       1.1
     284.0       7.1
     285.0       4.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₉ H₃₈ O₂	0.06 ml : 0.5 ml CDCl₃
isopropyl palmitate

    Assign.     Shift(ppm)

      A             4.995
      B             2.24
      C             1.60
      D             1.26
      E             1.24
      F             0.88

     Hz     ppm     Int.

    447.94   5.002     22
    201.75   2.253     25
    194.25   2.169     23
    112.69   1.259   1000
    106.44   1.189    327
     78.81   0.880     48

in CDCl3