Nalpha-Cbz-L-Arginine(1234-35-1) MS

Molecular FormulaC14H20N4O4

Molecular Weight308.33

InChIInChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1

InChIKey SJSSFUMSAFMFNM-NSHDSACASA-N

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

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Nalpha-Cbz-L-Arginine(1234-35-1) MS
Mass

MS-IW-1028          
N(alpha)-benzyloxycarbonyl-L-arginine
C14H20N4O4          (Mass of molecular ion:    308)

   Source Temperature: 210 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      16.0       5.7
      17.0      10.2
      18.0       7.0
      27.0       2.4
      28.0       3.7
      29.0       1.4
      30.0       1.1
      31.0       1.5
      38.0       1.5
      39.0       5.9
      41.0       1.4
      42.0       2.0
      43.0       2.7
      44.0      58.2
      50.0       4.7
      51.0      11.4
      52.0       3.5
      53.0       5.8
      53.5       2.2
      54.0       1.3
      56.0       2.2
      62.0       1.1
      63.0       2.5
      65.0       5.7
      69.0       5.5
      74.0       1.4
      76.0       1.0
      77.0      38.0
      78.0       8.8
      79.0      81.8
      80.0       7.2
      89.0       5.2
      90.0       7.8
      91.0      16.0
      92.0       2.2
     105.0       5.6
     106.0       3.2
     107.0      65.5
     108.0     100.0
     109.0       7.9

400 MHz in DNSO-D6

Nalpha-Cbz-L-Arginine(1234-35-1) MS

¹H NMR	399.65 MHz
C₁₄ H₂₀ N₄ O₄	0.042 g : 0.5 ml DMSO-d₆
N(alpha)-benzyloxycarbonyl-L-arginine

    Assign.     Shift(ppm)

      A             9.06
      B           7.7 to 7.42
      C             7.34
      D             7.30
      E             6.67
      F             4.989
      G             3.727
      J             3.04
      K     *1      1.70
      L     *1      1.57
      M             1.476

     Hz     ppm     Int.

   2944.95   7.369     34
   2937.47   7.351    216
   2936.55   7.348    209
   2934.72   7.344    283
   2931.67   7.336   1000
   2927.86   7.327     85
   2926.33   7.323     91
   2921.60   7.311     68
   2919.46   7.306     68
   2918.24   7.302     59
   2916.41   7.298     53
   2914.89   7.294     58
   2913.06   7.290     64
   2909.09   7.280     31
   2907.41   7.275     31
   2671.66   6.686     67
   2664.18   6.667     70
   1994.17   4.990    331
   1492.92   3.736     61
   1486.82   3.721     67
   1479.80   3.703     30
   1215.52   3.042     96
    680.08   1.702     32
    631.87   1.582     33
    625.00   1.564     33
    596.62   1.493     46
    590.06   1.477     58

in DMSO-d6