N-(2,4-DINITROPHENYL)-L-PHENYLALANINE(1655-54-5) IR1

Product NameN-(2,4-DINITROPHENYL)-L-PHENYLALANINE

Molecular FormulaC15H13N3O6

Molecular Weight331.28

InChIInChI=1S/C15H13N3O6/c19-15(20)13(8-10-4-2-1-3-5-10)16-12-7-6-11(17(21)22)9-14(12)18(23)24/h1-7,9,13,16H,8H2,(H,19,20)/t13-/m0/s1

InChIKey HJQHTLAEPSKXQJ-ZDUSSCGKSA-N

SmilesC(O)(=O)[C@H](CC1=CC=CC=C1)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

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¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

N-(2,4-DINITROPHENYL)-L-PHENYLALANINE(1655-54-5) IR1

¹H NMR	399.65 MHz
C₁₅ H₁₃ N₃ O₆	0.031 g : 0.5 ml DMSO-d₆
N-(2,4-dinitrophenyl)-L-phenylalanine

    Assign.     Shift(ppm)

      A             8.859
      B             8.793
      C             8.256
      D             7.27
      E             7.25
      F             7.23
      G             7.188
      J             5.023
      K     *1      3.30
      L     *1      3.27

     Hz     ppm     Int.

   3542.02   8.863    981
   3539.28   8.856   1000
   3518.22   8.804    359
   3510.59   8.785    368
   3305.97   8.273    322
   3303.38   8.266    312
   3296.36   8.249    343
   3293.76   8.242    334
   2917.18   7.300    155
   2915.34   7.295    244
   2913.67   7.291    134
   2908.63   7.278    729
   2906.95   7.274    460
   2901.46   7.261    850
   2897.49   7.251    803
   2895.51   7.246    522
   2893.98   7.242    368
   2891.08   7.235    199
   2888.18   7.227    879
   2885.13   7.220    147
   2882.69   7.214    124
   2881.16   7.210    149
   2879.79   7.206    116
   2875.82   7.196    749
   2874.30   7.193    834
   2867.74   7.176    625
   2017.67   5.049    113
   2012.02   5.035    260
   2004.39   5.016    262
   1998.90   5.002    124
   1329.35   3.327     53
   1324.16   3.314     68
   1322.17   3.309     45
   1313.78   3.288    528
   1310.12   3.279    473
   1307.83   3.273    466
   1299.74   3.253     82
   1296.08   3.244     48
   1293.64   3.237     69

in DMSO-d6