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Back ChemicalBook Home>CAS DataBase List>33044-91-6More Spectrum> myrmicacin(33044-91-6) 1H NMR

33044-91-6

myrmicacin(33044-91-6) 1H NMR

Product Namemyrmicacin

CAS33044-91-6

Molecular FormulaC10H20O3

Molecular Weight188.26

InChIInChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)

InChIKey FYSSBMZUBSBFJL-UHFFFAOYSA-N

SmilesC(O)(=O)CC(O)CCCCCCC

  • myrmicacin(33044-91-6) <sup>1</sup>H NMR
    Mass

    MS-IW-7271          
    3-hydroxydecanoic acid
    C10H20O3            (Mass of molecular ion:    188)
    

       Source Temperature: 130 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       3.3
          18.0      16.7
          27.0       3.2
          28.0       1.2
          29.0       5.7
          39.0       2.5
          41.0      11.2
          42.0       5.0
          43.0      18.5
          44.0       3.1
          45.0       1.5
          47.0       1.0
          54.0       1.6
          55.0      14.4
          56.0       8.9
          57.0       8.2
          58.0       2.3
          60.0       3.9
          61.0       1.0
          67.0       3.6
          68.0       3.1
          69.0      22.8
          70.0       4.5
          71.0      33.6
          72.0       1.8
          73.0       2.0
          81.0       3.8
          82.0       2.7
          83.0       3.7
          84.0      11.4
          85.0       2.5
          86.0       1.4
          87.0       4.4
          88.0       5.3
          89.0     100.0
          90.0       4.4
          91.0       1.2
          95.0       2.0
          96.0       3.5
          97.0       2.5
          98.0       2.9
          99.0       1.5
         100.0       2.5
         101.0       1.4
         108.0       1.7
         109.0       1.8
         110.0      10.0
         111.0       8.9
         113.0       1.2
         114.0       3.2
         123.0       2.3
         124.0       1.0
         127.0       3.2
         128.0       2.1
         129.0       3.6
         134.0       1.4
         152.0       7.9
         153.0       1.2
         170.0       5.0
    

400 MHz in DMSO-d6

  • myrmicacin(33044-91-6) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C10 H20 O3 0.039 g : 0.5 ml DMSO-d6
    3-hydroxydecanoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 4.6 C 3.79 D *1 2.279 E *1 2.224 F 1.35 G 1.25 J 0.861

         Hz     ppm     Int.
    

       1520.65   3.805     79
       1515.70   3.793     87
       1513.14   3.787     83
       1508.74   3.776     57
        924.26   2.313     89
        918.95   2.300     95
        909.42   2.276    249
        904.29   2.263    242
        896.78   2.244    252
        888.91   2.225    237
        881.95   2.207     92
        874.25   2.188     93
        542.91   1.359    221
        539.61   1.351    223
        531.37   1.330    117
        523.86   1.311    116
        523.12   1.309    117
        519.09   1.299    123
        511.95   1.281    207
        498.95   1.249   1000
        351.31   0.880    267
        344.54   0.863    828
        337.58   0.845    323
    

in DMSO-d6

  • myrmicacin(33044-91-6) <sup>1</sup>H NMR

myrmicacin(33044-91-6) 1H NMR Atlas of Related Products

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