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1499-55-4

L-谷氨酸-5-甲酯(1499-55-4)红外图谱(IR2)

产品名称:L-谷氨酸-5-甲酯

CAS:1499-55-4

分子式:C6H11NO4

分子量: 161.16

InChI:InChI=1S/C6H11NO4/c1-11-5(8)3-2-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

InChIKey: ZGEYCCHDTIDZAE-BYPYZUCNSA-N

Smiles:C(O)(=O)[C@H](CCC(OC)=O)N

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    Mass

    MS2007-03649WA      
    5-methyl L-glutamate
    C6H11NO4            (Mass of molecular ion:    161)
    

       Source Temperature: 240 °C
       Sample Temperature:  25 °C
       Direct, 70 eV
       comment: 
    
    

          15.0       4.9
          18.0       3.9
          27.0       3.8
          28.0      22.8
          28.5       1.4
          29.0       5.4
          30.0       6.2
          31.0       3.1
          32.0       1.5
          39.0       2.4
          41.0      25.0
          42.0       6.4
          42.5       1.5
          43.0       6.8
          44.0       2.6
          45.0       3.4
          46.0       2.8
          54.0       3.0
          55.0       5.4
          56.0      44.7
          57.0       6.8
          59.0       3.1
          70.0       1.5
          71.0       1.3
          74.0      19.1
          75.0       1.6
          82.0       1.1
          83.0       1.9
          84.0     100.0
          85.0       5.6
          87.0       6.2
          88.0       3.2
          98.0       4.7
          99.0       1.1
         100.0       6.7
         101.0       5.6
         102.0       3.2
         115.0       3.6
         116.0      70.3
         117.0       4.3
         129.0       2.7
         130.0      11.0
         143.0       5.7
         162.0       1.3
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C6 H11 N O4 0.039 g : 0.5 ml D2O
    5-methyl L-glutamate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.776 B 3.714 C 2.58 D 2.16 SOLVENT PEAK REMOVED

         Hz     ppm     Int.
    

       1515.63   3.793     87
       1509.16   3.777    177
       1502.69   3.761     91
       1484.25   3.714   1000
       1039.92   2.603     66
       1036.01   2.593     68
       1032.35   2.584    113
       1030.27   2.578     53
       1028.56   2.574    133
       1024.41   2.564     79
       1021.24   2.556     78
        876.83   2.194     51
        872.44   2.184     51
        870.61   2.179     71
        869.75   2.177     72
        869.02   2.175     66
        865.60   2.166     84
        864.14   2.163     81
        863.53   2.161     82
        862.67   2.159     77
        859.01   2.150     53
        857.54   2.146     78
        855.71   2.142     47
        850.59   2.129     46
    

in D2O

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KBr disc

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nujol mull

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4880 A,200 M,powder

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