N-ALPHA-BENZOYL-L-HISTIDINE(5354-94-9) IR1

Molecular FormulaC13H13N3O3

Molecular Weight259.26

InChIInChI=1S/C13H13N3O3/c17-12(9-4-2-1-3-5-9)16-11(13(18)19)6-10-7-14-8-15-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19)/t11-/m0/s1

InChIKey AUDPUFBIVWMAED-NSHDSACASA-N

SmilesC(O)(=O)[C@H](CC1N=CNC=1)NC(=O)C1=CC=CC=C1

Request For Quotation

¹HNMR

¹³CNMR

IR1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₃ N₃ O₃	0.031 g : 0.5 ml DMSO-d₆
N(alpha)-benzoyl-L-histidine

    Assign.     Shift(ppm)

      A             8.76
      B             7.843
      C             7.734
      D             7.536
      E             7.477
      F             6.928
      G             5.8
      J             4.637
      K     *1      3.12
      L     *1      3.08

     Hz     ppm     Int.

   3504.03   8.768    442
   3496.40   8.749    454
   3139.65   7.857    656
   3138.58   7.854    844
   3133.54   7.841    268
   3131.56   7.836   1000
   3130.04   7.832    754
   3091.74   7.737    893
   3090.67   7.734    882
   3022.61   7.564     89
   3021.39   7.561    159
   3020.02   7.557    106
   3016.66   7.549    117
   3014.07   7.542    531
   3011.78   7.537    165
   3008.12   7.527    281
   3006.74   7.524    455
   3005.37   7.521    248
   3001.86   7.512     32
   2994.38   7.493    736
   2988.13   7.477    544
   2986.76   7.474    989
   2981.26   7.460    173
   2979.74   7.456    402
   2978.52   7.453    250
   2769.01   6.929    819
   2302.09   5.761    177
   1864.78   4.667    135
   1859.44   4.653    165
   1856.69   4.646    304
   1851.50   4.633    266
   1848.75   4.626    217
   1843.41   4.613    149
   1258.09   3.148     56
   1252.90   3.135     90
   1243.13   3.111    395
   1239.17   3.101    538
   1231.38   3.082    373
   1224.82   3.065     86
   1216.58   3.045     90

in DMSO-d6