10-Hydroxy-2-decenoic acid (14113-05-4) ¹³C NMR

Product Name10-Hydroxy-2-decenoic acid

CAS 14113-05-4

Molecular FormulaC10H18O3

Molecular Weight186.25

InChIInChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+

InChIKey QHBZHVUGQROELI-SOFGYWHQSA-N

SmilesC(O)(=O)/C=C/CCCCCCCO

Request For Quotation

Mass

MS-IW-5527          
trans-10-hydroxy-2-decenoic acid
C10H18O3            (Mass of molecular ion:    186)

   Source Temperature: 160 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       4.2
      27.0      14.6
      28.0       4.9
      29.0      24.7
      31.0      25.3
      39.0      19.9
      40.0       5.2
      41.0      68.0
      42.0      18.1
      43.0      30.9
      44.0       5.3
      45.0       8.9
      51.0       2.0
      52.0       1.2
      53.0      13.7
      54.0      35.9
      55.0     100.0
      56.0      11.0
      57.0      18.4
      58.0       4.6
      59.0       2.3
      60.0       3.3
      61.0       1.1
      65.0       2.8
      66.0       5.9
      67.0      61.6
      68.0      50.6
      69.0      18.0
      70.0      13.6
      71.0      24.2
      72.0       6.3
      73.0      35.3
      74.0       2.0
      77.0       2.7
      78.0       2.4
      79.0      16.6
      80.0      21.3
      81.0      67.4
      82.0      29.6
      83.0      20.7
      84.0      18.3
      85.0      13.2
      86.0      58.7
      87.0       8.2
      88.0       1.0
      91.0       2.7
      93.0      14.1
      94.0      13.8
      95.0      30.4
      96.0      30.4
      97.0      29.4
      98.0      20.1
      99.0      39.4
     100.0      23.4
     101.0       5.6
     102.0       1.3
     104.0       1.0
     106.0       3.8
     107.0       6.6
     108.0      31.0
     109.0      15.3
     110.0       3.2
     111.0       8.6
     112.0       6.2
     113.0       6.9
     114.0       4.0
     115.0       1.2
     117.0       1.7
     119.0       1.0
     120.0       1.0
     121.0       6.8
     122.0      10.6
     123.0       8.2
     124.0      27.8
     125.0       8.5
     126.0       5.0
     127.0       3.4
     132.0       1.5
     135.0       2.2
     137.0       1.4
     138.0       8.4
     139.0       6.4
     140.0       7.4
     141.0       1.1
     150.0       7.4
     151.0       1.5
     156.0      10.5
     157.0       1.1
     168.0      19.2
     169.0       7.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₈ O₃	0.031 g : 0.5 ml CDCl₃
trans-10-hydroxy-2-decenoic acid

    Assign.     Shift(ppm)

      A             7.061
      B             7.0
      C             5.820
      D             3.643
      E             2.224
      F             1.57
      G             1.47
      J          1.36 to 1.32
     
     J(A,C)=15.6HZ
     J(C,E)=-1.6HZ

     Hz     ppm     Int.

   2837.16   7.100    112
   2830.20   7.082    242
   2823.12   7.064    126
   2821.53   7.061    127
   2814.58   7.043    262
   2807.50   7.025    131
   2335.08   5.843    150
   2333.50   5.839    339
   2331.91   5.835    156
   2319.46   5.804    150
   2317.87   5.800    318
   2316.28   5.796    137
   1463.01   3.661    466
   1456.30   3.644   1000
   1449.71   3.628    503
    900.51   2.254     95
    899.05   2.250    102
    893.43   2.236    243
    892.09   2.233    269
    885.74   2.217    262
    878.91   2.200    114
    877.32   2.196    110
    639.77   1.601     36
    633.18   1.585    125
    625.98   1.567    198
    619.02   1.549    169
    612.30   1.533     65
    601.81   1.506     38
    594.73   1.489    116
    587.89   1.472    176
    583.25   1.460    113
    580.93   1.454    138
    573.85   1.436     56
    553.96   1.387     40
    547.49   1.370    114
    546.02   1.367    114
    531.37   1.330    919

in CDCl3