53934-75-1

NΑ,NΩ-二苄氧羰基-L-精氨酸(53934-75-1)质谱(MS)

分子式:C22H26N4O6

分子量: 442.46

InChI:InChI=1S/C22H26N4O6/c23-20(26-22(30)32-15-17-10-5-2-6-11-17)24-13-7-12-18(19(27)28)25-21(29)31-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,25,29)(H,27,28)(H3,23,24,26,30)/t18-/m0/s1

InChIKey: YWMQITGDXCEQSI-SFHVURJKSA-N

Smiles:C(OCC1=CC=CC=C1)(=O)N[C@H](C(O)=O)CCCNC(=N)NC(=O)OCC1=CC=CC=C1

¹HNMR

IR1

IR2

Mass

MS-NW-2409          
N(alpha),N(omega)-bis(benzyloxycarbonyl)-L-arginine
C22H26N4O6          (Mass of molecular ion:    442)

   Source Temperature: 260 °C
   Sample Temperature: 240 °C
   Direct, 75 eV

      16.0       2.2
      17.0       3.4
      18.0      17.2
      26.0       2.6
      27.0       8.1
      28.0      21.4
      29.0       4.7
      30.0       1.9
      31.0       3.2
      37.0       2.1
      38.0       3.5
      39.0      13.4
      40.0       1.7
      41.0       3.3
      42.0       2.8
      43.0       4.4
      44.0      48.8
      49.0       1.2
      50.0      10.5
      51.0      22.3
      52.0       7.1
      53.0       5.4
      53.5       1.5
      54.0       1.8
      55.0       1.6
      56.0       1.5
      61.0       1.8
      62.0       2.5
      63.0       6.1
      64.0       1.7
      65.0       9.5
      66.0       1.1
      68.0       1.0
      69.0       3.4
      70.0       1.9
      74.0       3.0
      75.0       1.8
      76.0       1.7
      77.0      52.5
      78.0      13.5
      79.0     100.0
      80.0      10.8
      85.0       1.0
      89.0       6.9
      90.0       9.3
      91.0      29.0
      92.0       4.7
      97.0       1.4
      99.0       1.5
     105.0       7.7
     106.0       5.2
     107.0      64.8
     108.0      90.8
     109.0       7.2
     110.0       1.0
     113.0       1.0
     141.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₂ H₂₆ N₄ O₆	0.031 g : 0.5 ml DMSO-d₆
N(alpha),N(omega)-bis(benzyloxycarbonyl)-L-arginine

    Assign.     Shift(ppm)

      A             7.35
      B             5.03
      C             3.94
      D             3.11
      E     *1      1.72
      F     *1      1.53

     Hz     ppm     Int.

   2939.00   7.354    741
   2937.16   7.350    376
   2935.49   7.346    353
   2931.82   7.336   1000
   2008.97   5.027    437
   1566.47   3.920     44
   1244.81   3.115     67
    687.41   1.721     31
    611.57   1.531     47

KBr disc