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返回ChemicalBook首页>CAS数据库列表>7389-87-9更多图谱> L-组氨酸甲酯二盐酸盐(7389-87-9)红外图谱(IR1)

7389-87-9

L-组氨酸甲酯二盐酸盐(7389-87-9)红外图谱(IR1)

分子式:C7H13Cl2N3O2

分子量: 242.1

InChI:InChI=1/C7H11N3O2.2ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;;/h3-4,6H,2,8H2,1H3,(H,9,10);2*1H/t6-;;/s3

InChIKey: DWAYENIPKPKKMV-VNWIKVLKNA-N

Smiles:C1(N=CNC=1)C[C@H](N)C(=O)OC.Cl.Cl |&1:6,r|

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    Mass

    MS-NW-6902          
    L-histidine methyl ester dihydrochloride
    C7H11N3O2 2HCl      (Mass of molecular ion:    169)
    

       Source Temperature: 220 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          15.0       2.8
          18.0       2.5
          27.0       1.4
          28.0      12.5
          29.0       1.9
          30.0       1.4
          33.0       5.4
          35.0       4.3
          36.0      28.2
          37.0       1.4
          38.0       9.6
          39.0       1.5
          40.0       1.6
          41.0       1.8
          42.0       2.6
          43.0       1.2
          52.0       1.5
          54.0       7.6
          55.0       5.8
          56.0       4.0
          66.0       1.0
          69.0       1.1
          74.0       1.1
          81.0      26.0
          82.0     100.0
          83.0      12.1
          88.0       7.2
          93.0       3.5
         109.0       2.9
         110.0      26.6
         111.0       2.1
         169.0       3.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H11 N3 O2 0.042 g : 0.5 ml DMSO-d6
    L-histidine methyl ester dihydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.149 B 7.570 C 4.508 D 3.737 E 3.362

         Hz     ppm     Int.
    

       3657.07   9.151    264
       3655.85   9.148    269
       3025.97   7.572    199
       3025.05   7.570    204
       1808.93   4.527     53
       1801.76   4.509    127
       1794.74   4.491     59
       1493.53   3.738   1000
       1347.35   3.372    167
       1340.33   3.354    166
    

in DMSO-d6

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KBr disc

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nujol mull

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