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20859-02-3

L-叔亮氨酸(20859-02-3)Raman光譜

產品名稱:L-叔亮氨酸

CAS:20859-02-3

分子式:C6H13NO2

分子量: 131.17

InChI:InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1

InChIKey: NPDBDJFLKKQMCM-SCSAIBSYSA-N

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

  • 圖譜
    Mass 

    MS-NW-7575          
3-methyl-L-valine
C6H13NO2            (Mass of molecular ion:    131)


       Source Temperature: 190 °C
   Sample Temperature: 140 °C
   Direct, 75 eV


          18.0       3.0
      27.0       4.8
      28.0      12.4
      29.0      20.3
      30.0       4.5
      39.0       6.7
      41.0      26.7
      42.0       4.2
      43.0       5.6
      44.0       1.4
      45.0       1.3
      46.0       3.2
      53.0       1.5
      54.0       1.2
      55.0       2.5
      56.0       4.7
      57.0      40.9
      58.0       1.6
      68.0       1.0
      69.0       4.8
      70.0      13.9
      71.0       4.3
      72.0       2.9
      74.0       5.1
      75.0     100.0
      76.0       3.2
      86.0      17.6
      87.0       1.3
      98.0       2.8
     116.0       1.2

400 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C6 H13 N O2 0.042 g : 0.5 ml D2O
    3-methyl-L-valine
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             3.456
      B             1.078
  

         Hz     ppm     Int.


       1381.35   3.457    216
    431.03   1.079   1000

in D2O

  • 圖譜

KBr disc

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nujol mull

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