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返回ChemicalBook首頁(yè)>CAS數(shù)據(jù)庫(kù)列表>26782-74-1更多圖譜> (S)-2-氯-3-甲基丁酸(26782-74-1)紅外圖譜(IR1)

26782-74-1

(S)-2-氯-3-甲基丁酸(26782-74-1)紅外圖譜(IR1)

產(chǎn)品名稱:(S)-2-氯-3-甲基丁酸

CAS:26782-74-1

分子式:C5H9ClO2

分子量: 136.58

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

InChIKey: DDTJFSPKEIAZAM-BYPYZUCNSA-N

Smiles:C(O)(=O)[C@@H](Cl)C(C)C

  • 圖譜
    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

  • 圖譜

    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

  • 圖譜

liquid film

  • 圖譜

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