ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>19728-57-5更多图谱> CBZ-DL-组氨酸(19728-57-5)红外图谱(IR1)

19728-57-5

CBZ-DL-组氨酸(19728-57-5)红外图谱(IR1)

产品名称:CBZ-DL-组氨酸

CAS:19728-57-5

分子式:C14H15N3O4

分子量: 289.29

InChI:InChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)/t12-/m0/s1

InChIKey: WCOJOHPAKJFUDF-LBPRGKRZSA-N

Smiles:C(O)(=O)[C@H](CC1N=CNC=1)NC(OCC1=CC=CC=C1)=O

  • 图谱
    Mass

    MS-NW-2555          
    N(alpha)-benzyloxycarbonyl-DL-histidine
    C14H15N3O4          (Mass of molecular ion:    289)
    

       Source Temperature: 250 °C
       Sample Temperature: 210 °C
       Direct, 75 eV
    

          16.0       1.6
          17.0       1.6
          18.0       7.6
          26.0       4.1
          27.0       8.5
          28.0      23.9
          29.0       4.8
          30.0       1.3
          31.0       3.0
          37.0       2.5
          38.0       4.7
          39.0      14.9
          40.0       4.1
          41.0       5.3
          42.0       3.6
          43.0       2.8
          44.0      44.2
          45.0       1.0
          49.0       1.1
          50.0       8.7
          51.0      20.6
          52.0       9.6
          53.0       9.5
          53.5       1.5
          54.0      16.7
          55.0       8.6
          57.0       2.0
          61.0       1.1
          62.0       2.1
          63.0       5.5
          64.0       1.7
          65.0       9.4
          66.0       2.7
          67.0       1.3
          68.0       1.1
          69.0       1.4
          73.0       1.0
          74.0       2.9
          75.0       1.6
          76.0       1.5
          77.0      48.9
          78.0      11.4
          79.0     100.0
          80.0      11.9
          81.0      99.2
          82.0      34.4
          83.0       2.3
          89.0       6.3
          90.0       8.4
          91.0      32.4
          92.0       3.7
          93.0       1.6
          94.0       1.6
         105.0       4.2
         106.0       1.6
         107.0      64.8
         108.0      88.1
         109.0      40.1
         110.0       5.4
         120.0       1.3
         135.0       3.0
         136.0       3.6
         137.0       9.2
         138.0       4.7
         171.0       2.0
         181.0       3.6
    

400 MHz in DMSO-d6

  • 图谱

    1H NMR 399.65 MHz
    C14 H15 N3 O4 0.035 g : 0.5 ml DMSO-d6
    N(alpha)-benzyloxycarbonyl-DL-histidine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.668 B 7.53 C 7.36 to 7.27 D 6.856 E 6.7 F 5.007 G 4.231 J *1 2.970 K *1 2.868 J(B,G)=8.4HZ J(G,J)=5.1HZ J(G,K)=9.0HZ J(J,K)=-15.1HZ

         Hz     ppm     Int.
    

       3064.58   7.669    539
       3013.43   7.541    258
       3005.25   7.520    258
       2948.61   7.378    160
       2941.53   7.361    394
       2940.06   7.357    393
       2937.62   7.351    266
       2934.33   7.343    715
       2928.71   7.329    963
       2922.12   7.312    435
       2919.56   7.306    363
       2739.99   6.856    469
       2012.08   5.035     43
       2010.13   5.030     55
       2009.64   5.029     56
       2009.28   5.028     57
       2008.54   5.026     64
       2000.98   5.007   1000
       1705.44   4.268     32
       1701.54   4.258     98
       1699.58   4.253     68
       1696.66   4.246    120
       1695.43   4.243    104
       1693.24   4.237    172
       1688.48   4.225    162
       1684.94   4.217    106
       1679.93   4.204     78
       1199.34   3.001     93
       1199.10   3.001     93
       1197.02   2.996     59
       1194.34   2.989    107
       1190.92   2.980     45
       1190.19   2.979     44
       1184.45   2.964    181
       1179.57   2.952    167
       1173.34   2.936     34
       1171.75   2.932     31
       1171.14   2.931     30
       1156.25   2.894    165
       1147.46   2.872    175
       1143.92   2.863     71
       1141.60   2.857    112
       1137.82   2.848     42
       1136.84   2.845     41
       1136.35   2.844     40
       1132.81   2.835    101
    

in DMSO-d6

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

4880 A,200 M,powder

  • 图谱

×