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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>4857-44-7更多圖譜> 羥基蛋氨酸鈣(4857-44-7)紅外圖譜(IR2)

4857-44-7

羥基蛋氨酸鈣(4857-44-7)紅外圖譜(IR2)

產(chǎn)品名稱:羥基蛋氨酸鈣

CAS:4857-44-7

分子式:C5H12CaO3S

分子量: 192.29

InChI:InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2

InChIKey: ABRVDWASZFDIEH-UHFFFAOYSA-L

Smiles:C(=O)(O[Ca]OC(=O)C(O)CCSC)C(O)CCSC

400 MHz in D2O

  • 圖譜

    1H NMR 399.65 MHz
    C10 H18 Ca O6 S2 saturated in D2O
    2-hydroxy-4-(methylthio)butyric acid calcium salt
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             4.205
      B             2.61
      C             2.123
      D     *1      2.026
      E     *1      1.940
     
     SOLVENT PEAK REMOVED
  

         Hz     ppm     Int.


       1686.28   4.220     62
   1682.25   4.210     67
   1678.96   4.202     72
   1674.93   4.191     64
   1055.91   2.643     45
   1049.07   2.625     48
   1046.63   2.619     60
   1042.60   2.609     49
   1039.67   2.602     58
   1037.35   2.596     61
   1033.33   2.586     51
   1027.95   2.573     56
    848.75   2.124   1000
    816.65   2.044     32
    809.69   2.026     33
    807.13   2.020     33
    805.79   2.017     30
    780.76   1.954     33
    778.81   1.949     40
    771.61   1.931     34

in D2O

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

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