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Back ChemicalBook Home>CAS DataBase List>17791-52-5More Spectrum> N-Boc-L-Histidine(17791-52-5) IR2

17791-52-5

N-Boc-L-Histidine(17791-52-5) IR2

Product NameN-Boc-L-Histidine

CAS17791-52-5

Molecular FormulaC11H17N3O4

Molecular Weight255.27

InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)/t8-/m0/s1

InChIKey AYMLQYFMYHISQO-QMMMGPOBSA-N

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

  • N-Boc-L-Histidine(17791-52-5) IR2
    Mass

    MS-IW-6141          
    N-tert-butoxycarbonyl-L-histidine
    C11H17N3O4          (Mass of molecular ion:    255)
    

       Source Temperature: 170 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          18.0       3.2
          26.0       2.0
          27.0       6.4
          28.0      14.5
          29.0       6.1
          31.0      10.4
          38.0       1.7
          39.0      10.2
          40.0       3.3
          41.0      29.8
          42.0       2.6
          43.0       3.5
          44.0      27.9
          50.0       1.1
          51.0       1.4
          52.0       2.4
          53.0       3.7
          54.0      11.7
          55.0       8.8
          56.0      13.7
          57.0      14.4
          59.0      39.0
          60.0       1.3
          66.0       1.4
          80.0       1.9
          81.0     100.0
          82.0      42.7
          83.0       4.0
          93.0       2.0
          94.0       3.6
          95.0       1.0
         107.0       1.1
         108.0       1.0
         109.0      10.6
         110.0      12.2
         111.0       1.0
         120.0       3.1
         135.0       2.4
         136.0       4.1
         137.0       5.6
         138.0      12.7
         139.0       1.3
         154.0       5.5
         155.0       3.6
         181.0       8.4
         182.0       5.4
         199.0       5.3
         255.0       1.0
    

400 MHz in DMSO-d6

  • N-Boc-L-Histidine(17791-52-5) IR2

    1H NMR 399.65 MHz
    C11 H17 N3 O4 0.040 g : 0.5 ml DMSO-d6
    N-tert-butoxycarbonyl-L-histidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.8 B 7.683 C 6.96 D 6.845 E 4.137 F *1 2.918 G *1 2.851 J 1.357 SMALL AMOUNT OF CONFORMER INCLUDED.

         Hz     ppm     Int.
    

       3070.83   7.684    147
       2786.25   6.972     53
       2778.17   6.952     55
       2736.05   6.847    106
       1659.39   4.153     22
       1656.34   4.145     35
       1651.31   4.132     34
       1648.25   4.125     24
       1164.40   2.914     43
       1159.52   2.902     42
       1148.68   2.875     40
       1140.29   2.854     38
        542.30   1.357   1000
        525.51   1.315     85
          0.00   0.001     32
    

in DMSO-d6

  • N-Boc-L-Histidine(17791-52-5) IR2

KBr disc

  • N-Boc-L-Histidine(17791-52-5) IR2

nujol mull

  • N-Boc-L-Histidine(17791-52-5) IR2

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