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返回ChemicalBook首页>CAS数据库列表>1145-32-0更多图谱> 苯甲酰-甘氨酰基-氨基乙酸(1145-32-0)核磁图(1HNMR)

1145-32-0

苯甲酰-甘氨酰基-氨基乙酸(1145-32-0)核磁图(1HNMR)

分子式:C11H12N2O4

分子量: 236.22

InChI:InChI=1S/C11H12N2O4/c14-9(12-7-10(15)16)6-13-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,17)(H,15,16)

InChIKey: FWYPSSZPXQVFRB-UHFFFAOYSA-N

Smiles:C(O)(=O)CNC(=O)CNC(=O)C1=CC=CC=C1

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    Mass

    MS-NW-2487          
    N-benzoylglycylglycine
    C11H12N2O4          (Mass of molecular ion:    236)
    

       Source Temperature: 220 °C
       Sample Temperature: 240 °C
       Direct, 75 eV
    

          17.0       2.4
          18.0      12.6
          27.0       2.1
          28.0       9.6
          29.0       1.1
          30.0       9.7
          39.0       1.4
          42.0       1.7
          44.0       4.6
          50.0       3.9
          51.0      11.8
          52.0       1.2
          56.0       2.1
          71.0       2.7
          74.0       1.5
          75.0       1.3
          76.0       3.7
          77.0      39.0
          78.0       3.5
          89.0       1.2
          90.0       1.0
         103.0       3.5
         104.0       2.9
         105.0     100.0
         106.0       8.2
         116.0       1.1
         117.0      12.6
         118.0       3.8
         134.0      22.1
         135.0      30.6
         136.0       2.7
         161.0       5.2
         162.0       3.5
         172.0       2.0
         173.0       1.1
         174.0       1.1
         190.0       1.6
         218.0       4.0
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C11 H12 N2 O4 0.040 g : 0.5 ml DMSO-d6
    N-benzoylglycylglycine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.59 B 8.80 C 8.24 D 7.909 E 7.543 F 7.486 G 3.934 J 3.793 J(B,G)=6.1HZ J(C,J)=5.9HZ

         Hz     ppm     Int.
    

       5030.85  12.589    136
       3523.94   8.818    170
       3517.90   8.803    356
       3512.03   8.788    176
       3298.83   8.255    170
       3293.15   8.241    351
       3287.29   8.226    176
       3167.50   7.926    103
       3165.48   7.921    591
       3164.38   7.918    806
       3162.92   7.915    422
       3159.44   7.906    246
       3157.42   7.901    944
       3155.78   7.897    712
       3025.54   7.571     73
       3024.26   7.568    141
       3022.98   7.565     96
       3019.50   7.556    111
       3016.94   7.549    490
       3014.55   7.543    157
       3011.07   7.535    257
       3009.61   7.531    433
       3008.33   7.528    244
       2998.07   7.502    703
       2996.79   7.499    343
       2992.02   7.487    489
       2990.56   7.483    926
       2985.06   7.470    157
       2983.42   7.466    373
       2982.13   7.462    236
       1575.60   3.943    915
       1569.55   3.928    921
       1519.00   3.801    992
       1513.14   3.787   1000
    

in DMSO-d6

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KBr disc

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4880 A,200 M,powder

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