2645-08-1

Ethyl N-benzoyl-L-argininate hydrochloride(2645-08-1) IR1

Product NameEthyl N-benzoyl-L-argininate hydrochloride

Molecular FormulaC15H23ClN4O3

Molecular Weight342.82

InChIInChI=1/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H/t12-;/s3

InChIKey HIXDELXKSSLIKB-ZLBVLXFENA-N

Smiles[C@H](CCCNC(=N)N)(C(=O)OCC)NC(=O)C1C=CC=CC=1.Cl |&1:0,r|

Request For Quotation

Ethyl N-benzoyl-L-argininate hydrochloride(2645-08-1) IR1
Mass

MS-NW-7400          
N(alpha)-benzoyl-L-arginine ethyl ester monohydrochloride
C15H22N4O3 HCl      (Mass of molecular ion:    306)

   Source Temperature: 170 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      17.0       1.3
      18.0       5.0
      26.0       1.9
      27.0       6.2
      28.0       7.0
      29.0       3.5
      30.0       6.8
      31.0      15.8
      35.0       3.7
      36.0      15.4
      37.0       1.0
      38.0       5.3
      39.0       2.5
      41.0       4.5
      42.0       7.2
      43.0      20.8
      44.0       6.9
      45.0       9.9
      46.0       4.5
      50.0       3.9
      51.0      14.2
      52.0       1.9
      54.0       1.1
      55.0       2.1
      56.0       2.7
      57.0       1.1
      58.0       1.3
      59.0       3.7
      60.0       3.3
      64.0       1.4
      68.0       5.1
      69.0       5.7
      70.0      16.8
      71.0       1.5
      72.0      11.7
      73.0       6.6
      74.0       1.4
      75.0       1.6
      76.0       3.4
      77.0      59.7
      78.0       5.9
      79.0       1.4
      83.0       2.2
      84.0       3.3
      85.0      58.9
      86.0      18.2
      87.0      13.7
      95.0       1.0
      96.0       2.2
      97.0       4.4
      98.0       3.2
      99.0       1.3
     100.0      10.1
     101.0       1.7
     103.0       1.5
     104.0       2.1
     105.0     100.0
     106.0       8.3
     110.0       1.3
     111.0       1.6
     112.0       4.6
     113.0      15.8
     114.0       2.1
     121.0       1.9
     122.0       5.1
     127.0       7.6
     133.0       1.2
     134.0       1.6
     139.0       1.8
     142.0       5.0
     147.0       1.1
     148.0       1.9
     155.0       1.2
     160.0       1.0
     161.0       2.4
     162.0       2.7
     163.0       1.3
     173.0       2.8
     188.0       1.2
     189.0       2.1
     190.0       2.8
     191.0       2.1
     200.0       1.1
     201.0       1.5
     204.0       1.4
     216.0       1.3
     218.0      10.4
     219.0       1.9
     232.0      14.9
     233.0       5.1
     260.0       1.5
     261.0       1.3
     306.0       4.2
     307.0       1.0

90 MHz in D2O

Ethyl N-benzoyl-L-argininate hydrochloride(2645-08-1) IR1

¹H NMR	89.56 MHz
C₁₅ H₂₂ N₄ O₃	0.046 g : 0.5 ml D₂O
N(alpha)-benzoyl-L-arginine ethyl ester monohydrochloride

    Assign.     Shift(ppm)

      A             7.83
      B          7.68 to 7.46
      D             4.60
      E             4.275
      F             3.26
      G          2.09 to 1.67
      J             1.308
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    704.69   7.869    223
    699.13   7.807    289
    696.94   7.782    382
    684.13   7.639    295
    682.31   7.619    576
    680.50   7.599    258
    674.94   7.537    230
    418.50   4.673     94
    418.25   4.671     94
    417.94   4.667     95
    412.13   4.602    125
    410.56   4.585    112
    404.69   4.519    112
    404.19   4.514    116
    393.81   4.398    126
    386.63   4.317    392
    379.44   4.237    413
    372.38   4.158    137
    298.50   3.333    148
    291.69   3.257    309
    285.56   3.189    146
    175.88   1.964    143
    175.44   1.959    152
    174.63   1.950    142
    168.19   1.878    170
    167.88   1.875    171
    167.56   1.871    173
    162.38   1.814    168
    161.81   1.807    161
    161.44   1.803    160
    160.88   1.797    157
    159.81   1.785    150
    158.94   1.775    146
    158.63   1.772    145
    158.38   1.769    145
    155.50   1.737    153
    155.13   1.733    158
    124.31   1.389    465
    117.25   1.310   1000
    110.13   1.230    467

in D2O