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7536-55-2

BOC-L-天冬酰胺(7536-55-2)红外图谱(IR1)

产品名称:BOC-L-天冬酰胺

CAS:7536-55-2

分子式:C9H16N2O5

分子量: 232.23

InChI:InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(13)14)4-6(10)12/h5H,4H2,1-3H3,(H2,10,12)(H,11,15)(H,13,14)/t5-/m0/s1

InChIKey: FYYSQDHBALBGHX-YFKPBYRVSA-N

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

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    Mass

    MS-IW-6138          
    N-tert-butoxycarbonyl-L-asparagine
    C9H16N2O5           (Mass of molecular ion:    232)
    

       Source Temperature: 160 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          15.0       3.3
          16.0       2.0
          17.0       4.0
          18.0      39.9
          26.0       3.9
          27.0      12.0
          28.0      18.9
          29.0      19.7
          30.0       2.3
          31.0      12.7
          38.0       2.1
          39.0      16.4
          40.0       6.2
          41.0      72.8
          42.0      15.0
          43.0      35.8
          44.0      59.3
          45.0       5.5
          50.0       1.9
          51.0       2.4
          52.0       1.4
          53.0       3.6
          54.0       2.3
          55.0      14.7
          56.0      31.6
          57.0      97.5
          58.0       6.3
          59.0      76.0
          60.0       6.1
          62.0       1.1
          68.0       1.1
          69.0       3.2
          70.0      26.9
          71.0       5.3
          72.0       3.9
          73.0       2.0
          74.0       3.3
          86.0      11.8
          87.0     100.0
          88.0      14.3
          89.0       1.5
          96.0       2.3
          97.0       4.4
          98.0       1.4
          99.0       2.8
         112.0       1.9
         113.0      11.8
         114.0      11.2
         115.0       5.9
         116.0       1.7
         131.0      40.7
         132.0      47.1
         133.0       8.4
         141.0       5.4
         142.0       3.2
         158.0       1.6
         159.0      26.9
         160.0       2.7
         176.0      22.9
         177.0       7.0
         187.0      14.1
         188.0       1.7
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C9 H16 N2 O5 0.042 g : 0.5 ml DMSO-d6
    N-tert-butoxycarbonyl-L-asparagine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.5 B 7.33 C 6.92 D 6.87 E 4.234 F *1 2.49 G *1 2.435 J 1.378

         Hz     ppm     Int.
    

       2928.47   7.328     54
       2928.10   7.327     54
       2765.26   6.920     50
       2749.88   6.881     52
       2741.64   6.861     53
       1696.30   4.245     32
       1690.44   4.230     31
       1688.43   4.225     26
       1006.87   2.520     27
       1005.22   2.516     60
       1003.39   2.511     64
       1001.55   2.507     46
        999.72   2.502     25
        995.14   2.491     51
        989.65   2.477     49
        981.77   2.457     46
        974.26   2.438     44
        550.78   1.379   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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