DL-ALANYL-L-LEUCINE(1638-60-4) ¹H NMR

Product NameDL-ALANYL-L-LEUCINE

CAS 1638-60-4

Molecular FormulaC9H18N2O3

Molecular Weight202.25

InChIInChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m0/s1

InChIKey RDIKFPRVLJLMER-BQBZGAKWSA-N

SmilesC(O)(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-1975          
DL-alanyl-L-leucine
C9H18N2O3           (Mass of molecular ion:    202)

   Source Temperature: 190 °C
   Sample Temperature: 180 °C
   Direct, 75 eV

      15.0       3.2
      17.0       1.4
      18.0       7.2
      26.0       1.2
      27.0       9.4
      28.0      13.8
      29.0       4.6
      30.0       9.3
      39.0       4.8
      40.0       1.8
      41.0      12.0
      42.0      10.2
      43.0      19.2
      44.0     100.0
      45.0       3.0
      53.0       1.8
      54.0       2.0
      55.0       9.0
      56.0       4.9
      57.0       2.7
      68.0       1.4
      69.0       2.3
      70.0      15.6
      71.0       4.0
      72.0       1.1
      84.0       1.5
      85.0       1.8
      86.0      23.4
      87.0       1.5
      96.0       1.2
      97.0       1.1
      98.0       7.1
      99.0      12.1
     100.0       1.2
     113.0       8.0
     124.0       1.9
     127.0       2.4
     128.0      78.5
     129.0       5.1
     141.0       8.9
     169.0       1.2

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₁₈ N₂ O₃	0.021 g : 0.5 ml DMSO-d₆
DL-alanyl-L-leucine

    Assign.     Shift(ppm)

      A             8.01
      B     *1      3.86
      C     *1      3.76
      D             3.34
      E             1.827
      F     *2      1.62
      G     *2      1.48
      J             1.281
      K     *3      0.887
      L     *3      0.868

     Hz     ppm     Int.

   3203.58   8.016    121
   1546.63   3.870     57
   1539.92   3.854     59
   1511.54   3.783     42
   1505.89   3.769     65
   1500.85   3.756     46
   1354.22   3.389     31
   1335.60   3.342   1000
    737.92   1.847     35
    730.74   1.829     46
    724.18   1.813     42
    659.48   1.651     31
    650.94   1.629     57
    645.75   1.616     45
    642.85   1.609     41
    637.97   1.597     34
    637.51   1.596     34
    603.79   1.511     39
    596.31   1.493     51
    589.90   1.477     57
    582.58   1.458     34
    515.59   1.291    323
    508.73   1.273    327
    358.58   0.898    349
    350.95   0.879    529
    343.78   0.861    357

in CDCl3