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17791-52-5

N-Boc-L-组氨酸(17791-52-5)核磁图(13CNMR)

产品名称:N-Boc-L-组氨酸

CAS:17791-52-5

分子式:C11H17N3O4

分子量: 255.27

InChI:InChI=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

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

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    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

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    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

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KBr disc

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nujol mull

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