1161-13-3

N-Cbz-L-Phenylalanine(1161-13-3) MS

Molecular FormulaC17H17NO4

Molecular Weight299.32

InChIInChI=1S/C17H17NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1

InChIKey RRONHWAVOYADJL-HNNXBMFYSA-N

SmilesC(O)(=O)[C@H](CC1=CC=CC=C1)NC(OCC1=CC=CC=C1)=O

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N-Cbz-L-Phenylalanine(1161-13-3) MS
Mass

MS-NW-2349          
N-benzyloxycarbonyl-L-phenylalanine
C17H17NO4           (Mass of molecular ion:    299)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.0
      27.0       2.1
      28.0       5.6
      38.0       1.4
      39.0       6.6
      41.0       1.5
      44.0       6.9
      50.0       3.7
      51.0       7.5
      52.0       2.3
      53.0       1.3
      62.0       1.4
      63.0       4.0
      64.0       1.2
      65.0      10.4
      74.0       1.2
      77.0      11.0
      78.0       3.3
      79.0      18.6
      80.0       2.0
      89.0       3.9
      90.0       4.7
      91.0     100.0
      92.0      13.5
     103.0       1.1
     104.0       1.4
     105.0       1.2
     107.0      11.6
     108.0      16.7
     109.0       1.3
     116.0       1.3
     117.0       4.8
     118.0       5.8
     119.0       7.2
     120.0       1.4
     148.0       1.6
     191.0       2.0

90 MHz in CDCl3

N-Cbz-L-Phenylalanine(1161-13-3) MS

¹H NMR	89.56 MHz
C₁₇ H₁₇ N O₄	0.045 g : 0.5 ml CDCl₃
N-benzyloxycarbonyl-L-phenylalanine

    Assign.     Shift(ppm)

      A            10.20
      B             7.31
      C          7.37 to 7.04
      D             5.25
      E             5.08
      F             4.69
      G             3.14

     Hz     ppm     Int.

    913.88  10.205     70
    913.45  10.200     71
    913.11  10.196     69
    654.63   7.310   1000
    649.41   7.252    210
    646.68   7.221    396
    644.37   7.195    206
    642.41   7.173    222
    639.07   7.136    116
    634.80   7.088     66
    632.32   7.061     44
    454.59   5.076    293
    284.72   3.180     61
    283.86   3.170     66
    282.84   3.159     66
    281.90   3.148     63
    281.30   3.141     62
    280.19   3.129     65
    279.33   3.119     71
    278.91   3.115     70
    277.62   3.100     62
    277.03   3.094     57
    276.77   3.091     57
    275.92   3.081     53

KBr disc