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Back ChemicalBook Home>CAS DataBase List>26782-74-1More Spectrum> (S)-2-CHLORO-3-METHYLBUTYRIC ACID(26782-74-1) 13C NMR

26782-74-1

(S)-2-CHLORO-3-METHYLBUTYRIC ACID(26782-74-1) 13C NMR

Molecular FormulaC5H9ClO2

Molecular Weight136.58

InChIInChI=1S/C5H9ClO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1

InChIKey DDTJFSPKEIAZAM-BYPYZUCNSA-N

SmilesC(O)(=O)[C@@H](Cl)C(C)C

  • (S)-2-CHLORO-3-METHYLBUTYRIC ACID(26782-74-1) <sup>13</sup>C NMR
    Mass

    MS-IW-7595          
    (S)-2-chloro-3-methylbutyric acid
    C5H9ClO2            (Mass of molecular ion:    136)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0      11.2
          28.0       2.3
          29.0       6.8
          36.0       2.9
          38.0       1.8
          39.0      11.2
          40.0       1.7
          41.0      30.4
          42.0       2.3
          43.0      46.0
          44.0       3.4
          45.0       3.6
          49.0       1.1
          51.0       1.1
          53.0       2.2
          54.0       1.0
          55.0      10.3
          56.0       3.7
          57.0       1.9
          59.0       2.4
          63.0       1.5
          76.0       9.0
          78.0       2.9
          82.0       1.6
          83.0       2.3
          85.0       3.9
          91.0       1.6
          94.0     100.0
          95.0       2.6
          96.0      36.2
         100.0       2.0
         101.0       4.6
    

400 MHz in CDCl3

  • (S)-2-CHLORO-3-METHYLBUTYRIC ACID(26782-74-1) <sup>13</sup>C NMR

    1H NMR 399.65 MHz
    C5 H9 Cl O2 0.05 ml : 0.5 ml CDCl3
    (S)-2-chloro-3-methylbutyric acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.1 B 4.198 C 2.362 D *1 1.089 E *1 1.073

         Hz     ppm     Int.
    

       4440.50  11.111     26
       1680.92   4.206    368
       1674.87   4.191    391
        961.07   2.405     25
        954.30   2.388     73
        947.52   2.371    110
        941.29   2.356    109
        934.70   2.339     79
        928.10   2.323     29
        438.68   1.098    689
        432.09   1.082   1000
        425.86   1.066    784
    

in CDCl3

  • (S)-2-CHLORO-3-METHYLBUTYRIC ACID(26782-74-1) <sup>13</sup>C NMR

liquid film

  • (S)-2-CHLORO-3-METHYLBUTYRIC ACID(26782-74-1) <sup>13</sup>C NMR

(S)-2-CHLORO-3-METHYLBUTYRIC ACID(26782-74-1) 13C NMR Atlas of Related Products

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